SCHEMBL6468555

SCHEMBL6468555

COc1ccc(OC)c(-c2cc(C(=O)O)c(C)n2CC2CCCCC2)c1.NC(=O)c1ccco1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.43
MPO P05164 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
REV1 Q9UBZ9 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
NOTUM Q6P988 1/20 0.37
MEN1 O00255 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
TSHR P16473 2/20 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
SCHEMBL6468566 0.89 PLA2G2A (0.42) PLA2G2AMPOALDH1A1KDM4EHPGD
SCHEMBL3919213 0.88 PLA2G2A (0.48) PLA2G2AMPOALDH1A1HPGDNPSR1
SCHEMBL6468559 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL6468967 0.80 POLB (0.51) PLA2G2AALDH1A1HPGDNPSR1KMT2A
SCHEMBL3917726 0.80 PLA2G2A (0.50) PLA2G2AMPOALDH1A1KDM4EHSD17B10
SCHEMBL3917698 0.77 ALDH1A1 (0.55) PLA2G2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3931017 0.77 ALDH1A1 (0.58) PLA2G2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3918365 0.77 ALDH1A1 (0.58) PLA2G2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3917712 0.76 ALDH1A1 (0.57) PLA2G2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3919700 0.76 POLB (0.54) PLA2G2AALDH1A1NPSR1KMT2AMAPT

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