SCHEMBL28359503

SCHEMBL28359503

CCC(C)CCCCCCCOP(=O)(O)OCCCC(C)CC.[CaH2]

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 9/20 0.43
LPAR2 Q9HBW0 8/20 0.43
LPAR1 Q92633 4/20 0.43
SMPD1 P17405 3/20 0.40
PLA2G2C Q5R387 1/20 0.37
P2RY10 O00398 3/20 0.36
FDPS P14324 3/20 0.35
GPR34 Q9UPC5 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
SCHEMBL11428437 0.95 LPAR3 (0.42) LPAR3LPAR2LPAR1SMPD1PLA2G2C
SCHEMBL18780824 0.88 CYP3A4 (0.45) LPAR3LPAR2LPAR1SMPD1PLA2G2C
SCHEMBL2942277 0.86 LPAR3 (0.60) LPAR3LPAR2LPAR1SMPD1
SCHEMBL10356563 0.86 LPAR3 (0.60) LPAR3LPAR2LPAR1SMPD1
SCHEMBL8976953 0.84 LPAR3 (0.48) LPAR3LPAR2LPAR1SMPD1P2RY10
SCHEMBL21553542 0.84 SAT1 (0.45) LPAR3LPAR2LPAR1SMPD1FDPS
SCHEMBL18780597 0.83 LPAR3 (0.52) LPAR3LPAR2LPAR1SMPD1PLA2G2C
SCHEMBL13056120 0.82 LPAR3 (0.53) LPAR3LPAR2LPAR1SMPD1
SCHEMBL2942276 0.82 CYP3A4 (0.50) LPAR3LPAR2LPAR1
SCHEMBL2477274 0.81 LPAR3 (0.33) LPAR3LPAR2LPAR1PLA2G2CP2RY10

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
CN-110791964-B Treating agent for elastic fiber and elastic fiber 竹本油脂株式会社 2020-10-23 CN disclosed
CN-110791964-A Treating agent for elastic fiber and elastic fiber 竹本油脂株式会社 2020-02-14 CN disclosed