SCHEMBL9739158

SCHEMBL9739158

CCCc1cc(Cl)c(OCC(=O)OCC)c(C(C)=O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.42
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALOX5 P09917 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 4/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
CASP9 P55211 1/20 0.36
MEN1 O00255 3/20 0.36
HMGCR P04035 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL10502725 0.85 PRKCI (0.42) PRKCIGAAL3MBTL1KMT2AALDH1A1
SCHEMBL9742195 0.81 PRKCI (0.39) PRKCIGAAL3MBTL1TSHRKMT2A
SCHEMBL9739521 0.75 PRKCI (0.56) PRKCIGAAALOX5KMT2AALDH1A1
SCHEMBL5105195 0.74 PTPN1 (0.44) GAAL3MBTL1ALDH1A1PPARGPPARA
SCHEMBL9747175 0.73 PRKCI (0.42) PRKCIALOX5ALDH1A1PPARGPPARA
SCHEMBL13996135 0.72 GAA (0.49) GAAL3MBTL1TSHRKMT2AALDH1A1
SCHEMBL9740854 0.72 PRKCI (0.51) PRKCIGAAALOX5KMT2AMEN1
SCHEMBL9740473 0.71 PPARA (0.56) PRKCIPPARGPPARA
SCHEMBL9740799 0.70 PRKCI (0.65) PRKCIALOX5KMT2AMEN1HMGCR
SCHEMBL6814154 0.70 L3MBTL1 (0.48) GAAL3MBTL1TSHRKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5087638-A Inhibitors of mammalian leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1992-02-11 US disclosed
EP-0338782-A1 Benzofuran derivatives MERCK FROSST CANADA INC. (CA) 1989-10-25 EP disclosed
US-4863958-A TREATING ALLERGIC CONDITIONS, ASTHMA, CARDIOVASCULAR DISORDERS, AND INFLAMMATION MERCK FROSST CANADA, INC. (CA) 1989-09-05 US disclosed
EP-0165810-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES, THEIR USE IN INHIBITING MAMMALIAN LEUKOTRIENE BIOSYNTHESIS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE DERIVATIVES MERCK FROSST CANADA INC. (CA) 1989-08-23 EP disclosed
EP-0200443-B1 LIPOXYGENASE INHIBITORS MERCK FROSST CANADA INC. (CA) 1989-03-01 EP disclosed
US-4663347-A ANTIINFLAMMATORY, ANTIALLERGENS, CARDIOVASCULAR MERCK FROSST CANADA, INC. (CA) 1987-05-05 US disclosed
EP-0200443-A1 Lipoxygenase inhibitors MERCK FROSST CANADA INC. (CA) 1986-11-05 EP disclosed
EP-0165810-A2 Benzofuran and benzothiophene derivatives, their use in inhibiting mammalian leukotriene biosynthesis, and pharmaceutical compositions containing these derivatives MERCK FROSST CANADA INC. (CA) 1985-12-27 EP disclosed