SCHEMBL6468566

SCHEMBL6468566

COc1ccc(OC)c(-c2cc(C(=O)O)c(C)n2CC2CCCCC2)c1.NCc1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.40
MPO P05164 1/20 0.39
POLB P06746 1/20 0.39
NOTUM Q6P988 1/20 0.37
THRB P10828 1/20 0.37
PKM P14618 1/20 0.37
CNR2 P34972 2/20 0.36
MAPT P10636 2/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
HIF1A Q16665 1/20 0.36
CNR1 P21554 1/20 0.36
TSHR P16473 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ELANE P08246 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
SCHEMBL6468555 0.89 PLA2G2A (0.43) PLA2G2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3919213 0.88 PLA2G2A (0.48) PLA2G2AALDH1A1HPGDMPOPOLB
SCHEMBL6468559 0.85 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL6468967 0.80 POLB (0.51) PLA2G2AALDH1A1HPGDPOLBNOTUM
SCHEMBL3917726 0.80 PLA2G2A (0.50) PLA2G2AKDM4EALDH1A1HSD17B10MPO
SCHEMBL3917698 0.77 ALDH1A1 (0.55) PLA2G2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3931017 0.77 ALDH1A1 (0.58) PLA2G2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3918365 0.77 ALDH1A1 (0.58) PLA2G2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3917712 0.76 ALDH1A1 (0.57) PLA2G2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3919700 0.76 POLB (0.54) PLA2G2AALDH1A1POLBMAPTCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583742-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP claimed
WO-2004060870-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO claimed
EP-1583742-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
WO-2004060870-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO disclosed