SCHEMBL5534197

SCHEMBL5534197

C=C(C)COCC(O)COCCCCC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.58
HTT P42858 1/20 0.56
LPAR5 Q9H1C0 4/20 0.53
SPHK1 Q9NYA1 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
CES2 O00748 1/20 0.43
PLA2G2C Q5R387 3/20 0.41
HSD17B10 Q99714 1/20 0.39
LPAR1 Q92633 5/20 0.38
LPAR3 Q9UBY5 5/20 0.38
LPAR2 Q9HBW0 4/20 0.38
LPAR6 P43657 3/20 0.38
LPAR4 Q99677 3/20 0.38
P2RY10 O00398 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL11325874 0.93 USP2 (0.46) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL5958719 0.85 HSD17B10 (0.38) USP2HTTLPAR5HSD17B10KDM4E
SCHEMBL300014 0.84 USP2 (0.76) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL1835536 0.82 USP2 (0.80) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL1633705 0.82 CES2 (0.59) USP2HTTSPHK1CES2PLA2G2C
SCHEMBL10605202 0.82 USP2 (0.80) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL8527626 0.82 USP2 (0.80) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL2853658 0.82 USP2 (0.80) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL10566561 0.82 USP2 (0.80) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL9117095 0.82 USP2 (0.80) USP2HTTLPAR5SPHK1CYP1A2

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
US-20070054977-A1 Coating composition and method of forming coating film KANSAI PAINT CO., LTD. (JP) 2007-03-08 US disclosed