SCHEMBL28580285

SCHEMBL28580285

CCCCCCCCOP(=O)(O)C(C)(O)P(=O)(O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 7/20 0.58
LPAR2 Q9HBW0 6/20 0.58
LPAR1 Q92633 3/20 0.58
FDPS P14324 10/20 0.47
GGPS1 O95749 7/20 0.47
SMPD1 P17405 2/20 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
Cyclohexane SCHEMBL28564136 0.95 LPAR3 (0.53) LPAR3LPAR2LPAR1FDPSGGPS1
SCHEMBL8055462 0.93 CYP3A4 (0.48) LPAR3LPAR2LPAR1FDPSGGPS1
SCHEMBL27959316 0.93 LPAR3 (0.62) LPAR3LPAR2LPAR1FDPSGGPS1
SCHEMBL16640872 0.88 LPAR3 (0.56) LPAR3LPAR2LPAR1FDPSGGPS1
SCHEMBL28210168 0.87 LPAR3 (0.51) LPAR3LPAR2LPAR1FDPSGGPS1
SCHEMBL19020161 0.86 LPAR3 (0.58) LPAR3LPAR2LPAR1FDPSGGPS1
Water SCHEMBL5935334 0.81 FDPS (0.56) LPAR3LPAR2LPAR1FDPSGGPS1
SCHEMBL18307669 0.81 LPAR3 (0.56) LPAR3LPAR2LPAR1FDPSSMPD1
SCHEMBL18307658 0.81 LPAR3 (0.56) LPAR3LPAR2LPAR1FDPSSMPD1
SCHEMBL11408237 0.81 LPAR3 (0.56) LPAR3LPAR2LPAR1FDPSGGPS1

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-112920018-A Method for producing mixture of cyclohexanol and cyclohexanone by cyclohexane oxidation 长沙兴和新材料有限公司 2021-06-08 CN disclosed