SCHEMBL8534144

SCHEMBL8534144

CCCCCCCCCCc1cnc(-c2ccc(C(=O)O)cc2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 12/20 1.00
▸ RAB9A P51151 3/20 0.71
▸ SMN1; SMN2 Q16637 3/20 0.71
▸ NPC1 O15118 2/20 0.71
▸ NFKB1 P19838 1/20 0.71
▸ NFKB2 Q00653 1/20 0.71
▸ RELA Q04206 1/20 0.71
▸ MEN1 O00255 2/20 0.70
▸ ALDH1A1 P00352 2/20 0.70
▸ MAPT P10636 2/20 0.70
▸ KMT2A Q03164 2/20 0.70
▸ RARA P10276 1/20 0.70
▸ MTOR P42345 1/20 0.70
▸ KDM4E B2RXH2 1/20 0.58
▸ USP2 O75604 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ TP53 P04637 2/20 0.56
▸ TSHR P16473 1/20 0.51

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
SCHEMBL8371650 1.00 RARB (1.00) RARBRAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL4186000 1.00 RARB (1.00) RARBRAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL9734086 1.00 RARB (1.00) RARBRAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL9733644 1.00 RARB (1.00) RARBRAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL9744977 1.00 RARB (1.00) RARBRAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL5687511 1.00 RARB (1.00) RARBRAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL9817507 1.00 RARB (1.00) RARBRAB9ASMN1; SMN2NPC1NFKB1
Hydrochloric Acid SCHEMBL9323786 0.99 RARB (0.97) RARBRAB9ASMN1; SMN2NPC1NFKB1
Hydrochloric Acid SCHEMBL9744777 0.99 RARB (0.97) RARBRAB9ASMN1; SMN2NPC1NFKB1
Hydrochloric Acid SCHEMBL9746644 0.99 RARB (0.97) RARBRAB9ASMN1; SMN2NPC1NFKB1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5776365-A COMPOUNDS WITH OPTICAL ACTIVITY AND SWITCHES FOR CONTRAST MITSUI CHEMICALS, INC. (JP) 1998-07-07 — — US disclosed
US-5725798-A CARBOXYLIC ESTERS FOR ELECTRICAL APPARATUS, SWITCHES AND CONTRAST MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1998-03-10 — — US disclosed
US-5686020-A HIGH SPEED RESPONSE CANON KABUSHIKI KAISHA (JP) 1997-11-11 — — US disclosed
EP-0549347-B1 Novel carboxylate compounds, liquid crystal materials, liquid crystal compositions and liquid crystal elements MITSUI PETROCHEMICAL IND (JP) 1997-10-29 — — EP disclosed
EP-0474196-B1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KK (JP) 1997-05-28 — — EP disclosed
EP-0316011-B1 Mesomorphic compound and liquid crystal composition containing same CANON KK (JP) 1994-04-06 — — EP disclosed
EP-0549347-A1 Novel carboxylate compounds, liquid crystal materials, liquid crystal compositions and liquid crystal elements MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-06-30 — — EP disclosed
US-5110496-A LIQUID CRYSTAL COMPOUND SHOWA SHELL SEKIYU KABUSHIKI KAISHA (JP) 1992-05-05 — — US disclosed
EP-0474196-A1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1992-03-11 — — EP disclosed
US-5075031-A Prevent reverse domain CANON KABUSHIKI KAISHA (JP) 1991-12-24 — — US disclosed
EP-0445037-A2 Liquid crystal compound Showa Shell Sekiyu Kabushiki Kaisha (JP) 1991-09-04 — — EP disclosed
EP-0227717-B1 NITROGEN-CONTAINING HETEROCYCLIC ESTERS MERCK PATENT GmbH (DE) 1990-04-25 — — EP disclosed
EP-0316011-A2 Mesomorphic compound and liquid crystal composition containing same CANON KABUSHIKI KAISHA (JP) 1989-05-17 — — EP disclosed
US-4820839-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-04-11 — — US disclosed
EP-0227717-A1 NITROGEN-CONTAINING HETEROCYCLIC ESTERS. MERCK PATENT GMBH (DE) 1987-07-08 — — EP disclosed
WO-1986007055-A1 NITROGEN-CONTAINING HETEROCYCLIC ESTERS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-12-04 — — WO disclosed
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