SCHEMBL9864126

SCHEMBL9864126

Cc1coc2c(C(=O)c3cccs3)ccc(O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.47
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 5/20 0.45
CASP3 P42574 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
SENP6 Q9GZR1 2/20 0.45
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PSMD14 O00487 1/20 0.43
MMP2 P08253 1/20 0.43
NPC1 O15118 5/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
RAB9A P51151 6/20 0.42
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
TSHR P16473 2/20 0.40

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
SCHEMBL9867484 0.84 MAPT (0.47) LMNAKDM4EHPGDCASP3SENP7
SCHEMBL9866780 0.79 ALOX5 (0.55) USP2LMNAKDM4EHPGDCASP3
SCHEMBL9867900 0.79 HPGD (0.44) USP2LMNAKDM4EHPGDCASP3
SCHEMBL9866757 0.78 CYP2C9 (0.42) LMNAKDM4EHPGDCASP3SENP7
SCHEMBL9867830 0.78 ALOX5 (0.43) USP2LMNAKDM4EHPGDCASP3
SCHEMBL9866482 0.78 LMNA (0.50) USP2LMNAKDM4EHPGDALDH1A1
SCHEMBL11630076 0.70 CNR2 (0.55) LMNAKDM4EHPGDCASP3SENP7
SCHEMBL5989988 0.70 LMNA (0.48) LMNAHPGDCASP3SENP7SENP6
SCHEMBL10174797 0.69 CTNNB1 (0.66) LMNAKDM4EHPGDALDH1A1MAPT
SCHEMBL10661339 0.68 CYP2C9 (0.58) LMNAHPGDCASP3SENP7SENP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5006549-A Antiinflammatory agents MERCK & CO., INC. (US) 1991-04-09 US claimed
EP-0399773-A1 Novel 7-aroyl-4-hydroxy-3-methyl benzolfurans as dual inhibitors of cyclooxygenase and 5-lipoxygenase MERCK & CO. INC. (US) 1990-11-28 EP claimed
JP-3056473-A None JP disclosed
US-5006549-A Antiinflammatory agents MERCK & CO., INC. (US) 1991-04-09 US disclosed
JP-H0356473-A NOVEL 7-AROYL-4-HYDROXY-3-METHYL-BENZOFURAN AS DUAL INHIBITOR OF CYCLOOXYGENASE AND 5-LIPOXYGENASE MERCK & CO INC 1991-03-12 JP disclosed
EP-0399773-A1 Novel 7-aroyl-4-hydroxy-3-methyl benzolfurans as dual inhibitors of cyclooxygenase and 5-lipoxygenase MERCK & CO. INC. (US) 1990-11-28 EP disclosed