SCHEMBL9813398

SCHEMBL9813398

CCCCCCCCCCCCOCC(O)COC(CO)COCCCC

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.69
HTT P42858 2/20 0.57
LPAR5 Q9H1C0 4/20 0.54
SPHK1 Q9NYA1 1/20 0.49
PLA2G2C Q5R387 1/20 0.46
LPAR1 Q92633 7/20 0.45
LPAR3 Q9UBY5 7/20 0.45
LPAR2 Q9HBW0 4/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
LPAR6 P43657 3/20 0.43
LPAR4 Q99677 3/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL9813411 0.98 USP2 (0.71) USP2HTTLPAR5SPHK1PLA2G2C
SCHEMBL9813383 0.95 USP2 (0.67) USP2HTTLPAR5SPHK1PLA2G2C
SCHEMBL9813381 0.95 USP2 (0.67) USP2HTTLPAR5SPHK1PLA2G2C
SCHEMBL9813394 0.95 USP2 (0.67) USP2HTTLPAR5SPHK1PLA2G2C
SCHEMBL9813377 0.95 USP2 (0.67) USP2HTTLPAR5SPHK1PLA2G2C
SCHEMBL9813399 0.95 USP2 (0.67) USP2HTTLPAR5SPHK1PLA2G2C
SCHEMBL13299403 0.94 USP2 (0.75) USP2HTTLPAR5SPHK1PLA2G2C
SCHEMBL13299400 0.94 USP2 (0.75) USP2HTTLPAR5SPHK1PLA2G2C
SCHEMBL9813378 0.92 USP2 (0.67) USP2HTTLPAR5SPHK1PLA2G2C
SCHEMBL13299397 0.92 USP2 (0.77) USP2HTTLPAR5SPHK1PLA2G2C

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
EP-0162239-B1 PERCUTANEOUS ABSORPTION ACCELERATOR AND PREPARATION CONTAINING SAME Kao Corporation (JP) 1991-08-07 EP disclosed