SCHEMBL4842224

SCHEMBL4842224

Cc1ccc(C(=O)CC(=O)O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.73
RAB9A P51151 5/20 0.73
KMT2A Q03164 4/20 0.73
MEN1 O00255 3/20 0.73
MAPT P10636 4/20 0.60
GSK3B P49841 1/20 0.59
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 4/20 0.52
CES1 P23141 3/20 0.52
CES2 O00748 2/20 0.52
GAA P10253 1/20 0.52
KDM4E B2RXH2 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
HPGD P15428 2/20 0.50
SRD5A2 P31213 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL9356314 0.94 RAB9A (0.66) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL600578 0.88 RAB9A (0.83) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL29249309 0.88 KMT2A (0.62) NPC1RAB9AKMT2AMEN1MAPT
Toluene SCHEMBL28869912 0.87 KMT2A (0.74) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL269482 0.84 NPC1 (1.00) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL6518786 0.83 NPC1 (0.58) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL839126 0.82 KMT2A (0.72) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL3035986 0.82 NPC1 (0.67) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL20853597 0.82 NPC1 (0.67) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL6515905 0.82 NPC1 (0.56) NPC1RAB9AKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107876092-B Application of titanium catalyst with cyclic structure as reaction catalyst for synthesizing benzyl carbonate or diphenyl carbonate by ester exchange 华东理工大学 2023-01-10 CN claimed
CN-109400518-B Polysubstituted 6-arylbenzo [ a ] carbazole derivative and synthetic method thereof 湘潭大学 2021-09-24 CN claimed
CN-108997329-B Polysubstituted 3- (3-benzo [ b ] selenophenyl) -1H-2-aryl indole and derivative and synthesis method thereof 湘潭大学 2021-06-04 CN claimed
CN-109400518-A Polysubstituted 6- aryl benzo [a] carbazole and derivative and its synthetic method 湘潭大学 2019-03-01 CN claimed
CN-108997329-A Polysubstituted 3-(3- benzo [b] selenophen base) -1H-2- (hetero) aryl indole and derivative and its synthetic method 湘潭大学 2018-12-14 CN claimed
EP-0103486-B1 SMOKING COMPOSITIONS PHILIP MORRIS INCORPORATED (US) 1986-11-20 EP claimed
US-4481956-A B-KETOCARBOXYLIC ACID ESTER OF CARBOHYDRATE OF ALGOLHOL PHILIP MORRIS INCORPORATED (US) 1984-11-13 US claimed
EP-0103486-A1 Smoking compositions PHILIP MORRIS INCORPORATED (US) 1984-03-21 EP claimed
CN-120058572-A Preparation method of eremophilone intermediate 江苏百奥信康医药科技有限公司 2025-05-30 CN disclosed
CN-118598836-A Method for asymmetrically synthesizing chiral trans-3, 4-dihydrocoumarin derivative 中北大学 2024-09-06 CN disclosed
US-20240149237-A1 ACETOACETYL POLYMER - BASED MICROCAPSULES FIRMENICH SA (CH) 2024-05-09 US disclosed
CN-117107255-A Method for synthesizing p-substituted phenol derivative 江苏科技大学 2023-11-24 CN disclosed
WO-2023127752-A1 POLYPEPTIDE AND METHOD FOR PRODUCING AMINO ACID USING SAME 中外製薬株式会社 2023-07-06 WO disclosed
WO-2023093398-A1 SYNTHESIS METHOD OF OXAZEPINE DERIVATIVE 江苏科技大学 2023-06-01 WO disclosed
EP-0412933-B1 Coating compositions CIBA GEIGY AG (CH) 1994-09-14 EP disclosed
US-5183842-A Mixture of ketoacid and amine with film-forming binder, curing CIBA-GEIGY CORPORATION (US) 1993-02-02 US disclosed
US-5128396-A Corrosion inhibiting primers on metallic substrates CIBA-GEIGY CORPORATION (US) 1992-07-07 US disclosed
EP-0412933-A1 Coating compositions CIBA-GEIGY AG (CH) 1991-02-13 EP disclosed
US-4985305-A Using cobalt salt and boric acid ester; high bonding strength BAYER AKTIENGESELLSCHAFT (DE) 1991-01-15 US disclosed
US-4593118-A 2-amido-3-aminocarboxylic acid esters and process of preparation thereof ETHYL CORPORATION (US) 1986-06-03 US disclosed