SCHEMBL9437015

SCHEMBL9437015

CCCCCCCCCCCC(C)OP(=O)(OC(C)CCCCCCCCCCC)OC(C)CCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.52
FDPS P14324 4/20 0.47
S1PR2 O95136 5/20 0.44
S1PR1 P21453 5/20 0.44
S1PR3 Q99500 5/20 0.44
S1PR4 O95977 4/20 0.44
LAP3 P28838 1/20 0.44
TRPM8 Q7Z2W7 4/20 0.43
FAAH O00519 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
SCHEMBL2248856 1.00 SMPD1 (0.52) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL3813283 1.00 SMPD1 (0.52) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL2251176 1.00 SMPD1 (0.52) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL674654 1.00 SMPD1 (0.52) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL3818501 0.98 SMPD1 (0.48) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL3817199 0.94 SMPD1 (0.47) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL3818577 0.92 FDPS (0.45) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL16569788 0.92 FDPS (0.45) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL3815094 0.92 SMPD1 (0.48) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL3814007 0.91 CYP3A4 (0.45) SMPD1FDPSTRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0437347-B1 Topical composition UNILEVER PLC (GB) 1994-04-13 EP claimed
EP-0437347-A1 Topical composition UNILEVER PLC (GB) 1991-07-17 EP claimed
EP-0437347-B1 Topical composition UNILEVER PLC (GB) 1994-04-13 EP disclosed
EP-0437347-A1 Topical composition UNILEVER PLC (GB) 1991-07-17 EP disclosed