SCHEMBL4061138

SCHEMBL4061138

O=C(O)C(Br)CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ KEAP1 Q14145 1/20 0.48
▸ ANPEP P15144 2/20 0.47
▸ ERAP1 Q9NZ08 2/20 0.47
▸ ERAP2 Q6P179 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MME P08473 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ PPARA Q07869 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ACP3 P15309 1/20 0.46
▸ HDAC3 O15379 1/20 0.45
▸ MAPK1 P28482 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6248066 1.00 CNR2 (0.49) CNR2TSHRKEAP1ANPEPERAP1
SCHEMBL5870056 1.00 CNR2 (0.49) CNR2TSHRKEAP1ANPEPERAP1
SCHEMBL11831098 0.89 MMP12 (0.58) TSHRMMEHTT
SCHEMBL28160685 0.88 GRIK1 (0.54) KEAP1SMN1; SMN2PPARGPPARANPC1
SCHEMBL12222240 0.88 GRIK1 (0.54) KEAP1SMN1; SMN2PPARGPPARANPC1
SCHEMBL8472563 0.84 ERAP1 (0.49) CNR2TSHRKEAP1ANPEPERAP1
SCHEMBL27758940 0.82 MMP12 (0.47) ANPEPERAP1ERAP2SMN1; SMN2RAB9A
SCHEMBL10518208 0.82 ALDH1A1 (0.47) TSHRANPEPPPARAMEN1KMT2A
SCHEMBL11083245 0.82 MDM2 (0.52) CNR2TSHRKEAP1ANPEPERAP1
SCHEMBL2291948 0.80 MMP8 (0.56) CNR2TSHRKEAP1ANPEPERAP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117305864-A alpha-Fe 2 O 3 Porphyrin-based MOFs core-shell photoelectric catalyst and preparation method and application thereof 石家庄铁道大学 2023-12-29 — — CN claimed
CN-107428092-B Additive manufacturing method using photomodulated free radical polymerization 陶氏环球技术有限责任公司 2021-06-08 — — CN claimed
EP-2033635-A1 Short-chain fatty acid derivatives for treating pruritus Asan Laboratories Company (Cayman) Limited (CN) 2009-03-11 — — EP claimed
US-20080107646-A1 Administering phenylbutyric acid derivative and pharmaceutically acceptable carrier Sunny Pharmtech Inc. (TW) 2008-05-08 — — US claimed
US-6403646-B1 ADMINISTERING PHENYLBUTYRIC ACID OR DERIVATIVES TO TREAT LIVER DISEASE AND EMPHYSEMA CAUSED BY PROTEASE INHIBITOR TYPE Z MUTATION; STIMULATES SECRETION WITHOUT INCREASING SYNTHESIS OF PROTEIN PERLMUTTER DAVID H (US) 2002-06-11 — — US claimed
EP-0423133-B1 ENZYMATIC RESOLUTION SYSTEMS AND COMPOUNDS USEFUL IN THE SYSTEMS AND THEIR REPARATIONS SEPRACOR INC (US) 1995-09-20 — — EP claimed
EP-0423133-A4 ENZYMATIC RESOLUTION SYSTEMS AND COMPOUNDS USEFUL IN THE SYSTEMS AND THEIR REPARATIONS — 1992-04-15 — — EP claimed
US-5077217-A Using enzymes in aqueous solutions SEPRACOR, INC. (US) 1991-12-31 — — US claimed
US-5057427-A Enzymatic hydrolysis SEPRACOR, INC. (US) 1991-10-15 — — US claimed
EP-0423133-A1 ENZYMATIC RESOLUTION SYSTEMS AND COMPOUNDS USEFUL IN THE SYSTEMS AND THEIR REPARATIONS. SEPRACOR INC (US) 1991-04-24 — — EP claimed
WO-1989009765-A1 ENZYMATIC RESOLUTION SYSTEMS AND COMPOUNDS USEFUL IN THE SYSTEMS AND THEIR REPARATIONS SEPRACOR, INC. (US) 1989-10-19 — — WO claimed
CN-117305864-A alpha-Fe 2 O 3 Porphyrin-based MOFs core-shell photoelectric catalyst and preparation method and application thereof 石家庄铁道大学 2023-12-29 — — CN disclosed
EP-2935495-B1 PRESSURE-SENSITIVE ADHESIVES PREPARED FROM DEGRADABLE MONOMERS AND POLYMERS 3M INNOVATIVE PROPERTIES CO (US) 2019-10-09 — — EP disclosed
US-9334428-B2 Pressure-sensitive adhesives prepared from degradable monomers and polymers 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-05-10 — — US disclosed
CN-102753542-B Substituted benzazepines as T0 LL-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2016-01-20 — — CN disclosed
CN-85109243-A Method for preparing antihypertensive octahydro-6-azaindole dipeptide derivative — 1986-09-17 — — CN disclosed
US-4532342-A N-substituted amino acids as intermediates in the preparation of acyl derivatives of 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acids WARNER-LAMBERT COMPANY (US) 1985-07-30 — — US disclosed
US-4499102-A HYPOTENSIVE AND ANTIDIABETIC AGENTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1985-02-12 — — US disclosed
EP-0094095-A2 Bicyclic carboxylic acids and their alkyl and aralkyl esters F. HOFFMANN-LA ROCHE AG (CH) 1983-11-16 — — EP disclosed
EP-0031104-A1 Thiazolidine compounds, processes for their preparation and pharmaceutical compositions containing them SANTEN PHARMACEUTICAL CO., LTD. (JP) 1981-07-01 — — EP disclosed
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