SCHEMBL9716294

SCHEMBL9716294

CCCCCCCCCCCCCCCCCCOCC(O)CCO

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.72
HTT P42858 2/20 0.65
LPAR5 Q9H1C0 4/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
MEN1 O00255 1/20 0.53
THRB P10828 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 1/20 0.53
PLA2G2C Q5R387 2/20 0.50
SPHK1 Q9NYA1 1/20 0.50
LPAR1 Q92633 7/20 0.44
LPAR3 Q9UBY5 7/20 0.44
LPAR2 Q9HBW0 4/20 0.44
LPAR6 P43657 3/20 0.44
LPAR4 Q99677 3/20 0.44
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL21046012 1.00 USP2 (0.72) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL21046007 1.00 USP2 (0.72) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL21046021 1.00 USP2 (0.72) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL21046039 1.00 USP2 (0.72) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL21046028 1.00 USP2 (0.72) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL21046017 1.00 USP2 (0.72) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL10435643 0.98 USP2 (0.69) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL13966358 0.92 USP2 (0.60) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL2853366 0.92 USP2 (0.60) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL19257794 0.90 USP2 (0.74) USP2HTTLPAR5CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5103007-A Antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-07 US disclosed
EP-0378763-A1 Lipids, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-07-25 EP disclosed