SCHEMBL29068456

SCHEMBL29068456

CCCCC(C)C(C(C)CCCC)C(C)OP(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.52
FDPS P14324 6/20 0.45
PTPN1 P18031 1/20 0.41
LPAR3 Q9UBY5 3/20 0.38
LPAR1 Q92633 2/20 0.38
LPAR2 Q9HBW0 2/20 0.38
METAP1 P53582 1/20 0.37
LAP3 P28838 1/20 0.37
S1PR2 O95136 4/20 0.37
S1PR1 P21453 4/20 0.37
S1PR3 Q99500 4/20 0.37
S1PR4 O95977 3/20 0.37

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
SCHEMBL29068395 0.94 SMPD1 (0.59) SMPD1FDPSPTPN1LPAR3LPAR1
SCHEMBL29068438 0.88 METAP1 (0.48) SMPD1FDPSPTPN1LPAR3LPAR1
SCHEMBL29068419 0.84 SMPD1 (0.47) SMPD1FDPSPTPN1LPAR3LPAR1
SCHEMBL29068466 0.82 SMPD1 (0.53) SMPD1FDPSPTPN1LPAR3LPAR1
SCHEMBL11150980 0.81 SMPD1 (0.67) SMPD1FDPSPTPN1LPAR3LPAR1
SCHEMBL5963564 0.81 PTPN1 (0.53) SMPD1FDPSPTPN1LPAR3LPAR1
SCHEMBL29068476 0.80 SMPD1 (0.55) SMPD1FDPSPTPN1LPAR3LPAR1
SCHEMBL29068473 0.79 SMPD1 (0.39) SMPD1FDPSPTPN1LPAR3LPAR1
SCHEMBL28174512 0.79 SMPD1 (0.50) SMPD1FDPSPTPN1LPAR3LPAR1
SCHEMBL29068417 0.78 SMPD1 (0.44) SMPD1FDPSPTPN1LPAR3LPAR1

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-116745025-A membrane for water filtration 水通道蛋白有限公司 2023-09-12 CN disclosed