SCHEMBL28995140

SCHEMBL28995140

CC(C)CCCCCCCCCCCCCCCOCC(CO)OCCCCCCCCCCCCCCCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
LPAR1 Q92633 4/20 0.44
LPAR3 Q9UBY5 4/20 0.44
LPAR2 Q9HBW0 1/20 0.44
TLR2 O60603 6/20 0.40
ALDH1A1 P00352 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
SPHK1 Q9NYA1 1/20 0.37
HTT P42858 1/20 0.36
PLA2G2C Q5R387 1/20 0.35

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
SCHEMBL10498365 0.95 USP2 (0.49) USP2LPAR1LPAR3LPAR2TLR2
SCHEMBL9781604 0.95 USP2 (0.53) USP2LPAR1LPAR3LPAR2TLR2
SCHEMBL578145 0.95 CNR2 (0.40) USP2LPAR1LPAR3LPAR2TLR2
SCHEMBL2314245 0.88 PLA2G2C (0.42) LPAR1LPAR3TLR2ALDH1A1PLA2G2C
SCHEMBL2309583 0.88 PLA2G2C (0.42) LPAR1LPAR3TLR2ALDH1A1PLA2G2C
SCHEMBL18584920 0.87 USP2 (0.40) USP2LPAR1LPAR3LPAR2TLR2
SCHEMBL7598357 0.87 CNR2 (0.44) ALDH1A1CNR1CNR2
SCHEMBL7598483 0.87 CNR2 (0.44) ALDH1A1CNR1CNR2
SCHEMBL469524 0.86 USP2 (0.50) USP2LPAR1LPAR3LPAR2TLR2
SCHEMBL10599461 0.86 LPAR1 (0.45) USP2LPAR1LPAR3LPAR2ALDH1A1

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
CN-109843257-B Cosmetic composition 株式会社大赛璐 2023-05-09 CN disclosed