SCHEMBL8957148

SCHEMBL8957148

CCCc1c(O)ccc(C(N)=O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.41
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ERN1 O75460 1/20 0.38
MCL1 Q07820 1/20 0.37
HSP90AB1 P08238 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
LMNA P02545 1/20 0.36
NFKB1 P19838 1/20 0.36
PPARG P37231 1/20 0.36
BLM P54132 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
GRM2 Q14416 1/20 0.36
CYP2D6 P10635 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
SCHEMBL27677557 0.87 KDM4E (0.39) PRKCIMAPTALDH1A1KDM4EHPGD
SCHEMBL4017548 0.86 HSP90AB1 (0.49) PRKCIMAPTALDH1A1HPGDMCL1
SCHEMBL10726758 0.84 SELL (0.53) PRKCIMAPTALDH1A1KDM4EHPGD
SCHEMBL480388 0.84 CYP1A2 (0.50) PRKCIMAPTALDH1A1TSHRCYP1A2
SCHEMBL30736074 0.84 CYP1A2 (0.50) PRKCIMAPTALDH1A1TSHRCYP1A2
SCHEMBL8957202 0.81 PLK1 (0.46) PRKCIMAPTMCL1CYP1A2CYP2C9
SCHEMBL9821864 0.81 PRKCI (0.44) PRKCIKDM4EMCL1HSP90AB1PPARG
SCHEMBL7044950 0.81 HPGD (0.49) PRKCIMAPTALDH1A1HPGDTSHR
SCHEMBL28273750 0.81 ALDH1A1 (0.41) MAPTALDH1A1KDM4EHPGDTSHR
SCHEMBL7044625 0.80 CYP1A2 (0.42) PRKCIMAPTALDH1A1TSHRMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532383-A Leukotriene B4 antagonists G. D. SEARLE & CO. (US) 1996-07-02 US disclosed
EP-0593478-B1 LEUKOTRIENE B 4 ANTAGONISTS SEARLE & CO (US) 1995-12-06 EP disclosed
US-5439937-A Leukotriene B4 antagonists G. D. SEARLE & CO. (US) 1995-08-08 US disclosed
US-5310951-A Benzopyran-2-propanoic acid derivatives; antiinflammatory agents G.D. SEARLE & CO. (US) 1994-05-10 US disclosed
EP-0593478-A1 LEUKOTRIENE B 4? ANTAGONISTS. SEARLE & CO (US) 1994-04-27 EP disclosed
US-5124350-A Antiinflammatory agent G. D. SEARLE & CO. (US) 1992-06-23 US disclosed
WO-1992000011-A2 LEUKOTRIENE B4 ANTAGONISTS G.D. SEARLE & CO. (US) 1992-01-09 WO disclosed