SCHEMBL8454480

SCHEMBL8454480

CCCCCCCCCCCCCCOCC(O)CN(C)C

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.67
HTT P42858 2/20 0.65
SPHK1 Q9NYA1 1/20 0.59
LPAR5 Q9H1C0 4/20 0.56
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.44
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
PLA2G2C Q5R387 2/20 0.43
HSD17B10 Q99714 1/20 0.42
CES2 O00748 1/20 0.41

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
SCHEMBL3968392 1.00 USP2 (0.67) USP2HTTSPHK1LPAR5CYP1A2
SCHEMBL2988607 1.00 USP2 (0.67) USP2HTTSPHK1LPAR5CYP1A2
SCHEMBL2994684 1.00 USP2 (0.67) USP2HTTSPHK1LPAR5CYP1A2
SCHEMBL12802300 1.00 USP2 (0.67) USP2HTTSPHK1LPAR5CYP1A2
SCHEMBL2981072 1.00 USP2 (0.67) USP2HTTSPHK1LPAR5CYP1A2
SCHEMBL3964904 1.00 USP2 (0.67) USP2HTTSPHK1LPAR5CYP1A2
SCHEMBL578059 1.00 USP2 (0.67) USP2HTTSPHK1LPAR5CYP1A2
Bromide SCHEMBL2229414 0.98 USP2 (0.65) USP2HTTSPHK1LPAR5CYP1A2
SCHEMBL258455 0.92 USP2 (0.55) USP2HTTSPHK1LPAR5CYP1A2
SCHEMBL14339072 0.90 USP2 (0.56) USP2HTTSPHK1LPAR5LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691327-B1 AMINE DERIVATIVE AND DERMATOLOGIC PREPARATION CONTAINING THE SAME KAO CORP (JP) 1999-07-21 EP disclosed
US-5723497-A AMINE ALCOHOL DERIVATIVES FOR WRINKLE RESISTNCE KAO CORPORATION (JP) 1998-03-03 US disclosed
EP-0691327-A1 AMINE DERIVATIVE AND DERMATOLOGIC PREPARATION CONTAINING THE SAME Kao Corporation (JP) 1996-01-10 EP disclosed