SCHEMBL29068425

SCHEMBL29068425

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.52
FDPS P14324 6/20 0.45
PTPN1 P18031 1/20 0.41
CYP3A4 P08684 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LPAR3 Q9UBY5 3/20 0.38
LPAR1 Q92633 2/20 0.38
LPAR2 Q9HBW0 2/20 0.38
LAP3 P28838 1/20 0.37
CA2 P00918 1/20 0.37
S1PR2 O95136 3/20 0.37
S1PR1 P21453 3/20 0.37
S1PR3 Q99500 3/20 0.37
S1PR4 O95977 2/20 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
SCHEMBL4448119 0.94 SMPD1 (0.59) SMPD1FDPSPTPN1LPAR3LPAR1
SCHEMBL29068422 0.88 SMPD1 (0.46) SMPD1FDPSPTPN1CYP3A4LPAR3
SCHEMBL1995547 0.87 SMPD1 (0.56) SMPD1FDPSPTPN1LPAR3LPAR1
SCHEMBL4185332 0.85 SMPD1 (0.54) SMPD1FDPSPTPN1LPAR3LPAR1
SCHEMBL29068452 0.83 SMPD1 (0.42) SMPD1FDPSPTPN1LPAR3LPAR1
SCHEMBL28322131 0.83 SMPD1 (0.50) SMPD1FDPSPTPN1CYP3A4L3MBTL1
SCHEMBL5692946 0.83 PTPN1 (0.51) SMPD1FDPSPTPN1CYP3A4L3MBTL1
SCHEMBL28174512 0.83 SMPD1 (0.50) SMPD1FDPSPTPN1CYP3A4L3MBTL1
SCHEMBL4178393 0.81 PTPN1 (0.50) SMPD1FDPSPTPN1CYP3A4L3MBTL1
SCHEMBL29068476 0.80 SMPD1 (0.55) 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