SCHEMBL8800972

SCHEMBL8800972

COc1cccc(C(=O)C(O)c2ccccc2)c1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.52
FABP3 P05413 1/20 0.52
FABP5 Q01469 1/20 0.52
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
USP2 O75604 1/20 0.44
LMNA P02545 3/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
NPC1 O15118 2/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 1/20 0.42
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41

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
SCHEMBL277654 0.85 HPGD (0.56) HPGDALDH1A1LMNACES2CES1
Methoxymethane SCHEMBL5593577 0.83 HPGD (0.55) HPGDALDH1A1LMNACES2CES1
SCHEMBL29384 0.82 USP2 (0.52) HPGDALDH1A1USP2LMNACES2
Methoxymethane SCHEMBL28122245 0.81 USP2 (0.51) HPGDALDH1A1USP2LMNACES2
Bicarbonate SCHEMBL1969232 0.81 USP2 (0.51) HPGDALDH1A1USP2LMNACES2
SCHEMBL27623521 0.81 KAT6A (0.49) HPGDALDH1A1USP2LMNACES2
Bicarbonate SCHEMBL31648960 0.81 USP2 (0.51) HPGDALDH1A1USP2LMNACES2
SCHEMBL28029106 0.81 HPGD (0.47) HPGDALDH1A1USP2LMNACES2
Acetic Acid SCHEMBL8064561 0.80 USP2 (0.50) HPGDALDH1A1USP2LMNACES2
Benzene SCHEMBL28180511 0.80 USP2 (0.50) HPGDALDH1A1USP2LMNACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772601-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed