SCHEMBL9437007

SCHEMBL9437007

CCCCCCCCCCCCCC(CC)OP(=O)(OC(CC)CCCCCCCCCCCCC)OC(CC)CCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.50
FDPS P14324 5/20 0.45
S1PR2 O95136 5/20 0.43
S1PR1 P21453 5/20 0.43
S1PR3 Q99500 5/20 0.43
S1PR4 O95977 4/20 0.43
LAP3 P28838 1/20 0.42
CYP3A4 P08684 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTPN1 P18031 1/20 0.40
TRPM8 Q7Z2W7 2/20 0.39

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
SCHEMBL1882619 1.00 SMPD1 (0.50) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL3822479 1.00 SMPD1 (0.50) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL9437019 1.00 SMPD1 (0.50) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL563914 0.98 SMPD1 (0.47) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL4448138 0.91 SMPD1 (0.53) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL11031332 0.91 SMPD1 (0.53) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL4445804 0.91 SMPD1 (0.53) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL4942372 0.91 SMPD1 (0.53) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL4946872 0.91 SMPD1 (0.53) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL4948491 0.91 SMPD1 (0.53) SMPD1FDPSS1PR2S1PR1S1PR3

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 6 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
JP-4217911-A None JP disclosed
EP-0437347-B1 Topical composition UNILEVER PLC (GB) 1994-04-13 EP disclosed
JP-H04217911-A COMPOSITION FOR LOCAL APPLICATION UNILEVER NV 1992-08-07 JP disclosed
EP-0437347-A1 Topical composition UNILEVER PLC (GB) 1991-07-17 EP disclosed