SCHEMBL9701482

SCHEMBL9701482

COc1ccc(-c2cccc(=O)[nH]2)cc1OCC1CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.48
MAP2K1 Q02750 1/20 0.48
PDE4B Q07343 15/20 0.46
PDE4A P27815 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
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
SCHEMBL3374951 0.82 KDM4E (0.68) FPR2PDE4BPDE4APDE4CPDE4D
SCHEMBL9700696 0.79 KDM4E (0.53) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL3374953 0.72 PDE4B (0.48) FPR2PDE4BPDE4APDE4CPDE4D
SCHEMBL7411191 0.71 PDE4B (0.63) FPR2PDE4BPDE4APDE4CPDE4D
SCHEMBL8635605 0.71 PDE4B (0.67) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL17111303 0.70 HTR2A (0.54) PDE4BPDE4APDE4CPDE4D
SCHEMBL6873365 0.70 ACHE (0.57) PDE4BPDE4APDE4CPDE4D
SCHEMBL4722080 0.69 PDE4D (0.49) FPR2PDE4BPDE4APDE4CPDE4D
SCHEMBL28324572 0.69 CHRNB4 (0.58) PDE4BPDE4APDE4CPDE4D
SCHEMBL29993440 0.69 CHRNB4 (0.58) PDE4BPDE4APDE4CPDE4D

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
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed