SCHEMBL6994868

SCHEMBL6994868

CCCCOc1cccc(CO[C]=O)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.48
GGPS1 O95749 2/20 0.48
CYP2D6 P10635 7/20 0.47
KCNH2 Q12809 1/20 0.46
DHFR P00374 1/20 0.46
TSHR P16473 1/20 0.45
TLR4 O00206 1/20 0.45
TLR2 O60603 1/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
THRB P10828 1/20 0.44

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
SCHEMBL6998877 0.95 GGPS1 (0.53) PLA2G4BGGPS1CYP2D6KCNH2DHFR
SCHEMBL7003378 0.94 GGPS1 (0.55) PLA2G4BGGPS1CYP2D6DHFRTSHR
SCHEMBL7003292 0.92 KMT2A (0.49) PLA2G4BGGPS1CYP2D6DHFRTSHR
SCHEMBL7002579 0.86 CHRM2 (0.48) DHFRTSHRTHRB
SCHEMBL5545614 0.84 FFAR1 (0.50)
SCHEMBL5543434 0.82 FFAR1 (0.49) PPARGPPARA
SCHEMBL2090023 0.82 KDM4E (0.49) CYP2D6TSHR
SCHEMBL5536450 0.82 FFAR1 (0.58) KCNH2
SCHEMBL3207718 0.81 GGPS1 (0.50) PLA2G4BGGPS1CYP2D6KCNH2DHFR
SCHEMBL9249590 0.80 XIAP (0.43) PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1081149-B1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2003-04-02 EP disclosed
US-6372749-B1 PHARMACOLOGICAL EFFECTS SUCH AS ANALGESIC ACTION, INHIBITORY EFFECT ON NITROGEN MONOXIDE SYNTHETASE AND THE LIKE AND ARE USEFUL AS ANALGESICS. OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2002-04-16 US disclosed
EP-1081149-A1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-03-07 EP disclosed
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 US disclosed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 EP disclosed