SCHEMBL29068444

SCHEMBL29068444

CCCCCCC(C)C(OP(=O)(O)O)C(C)CCCCCC

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.67
PTPN1 P18031 1/20 0.53
FDPS P14324 5/20 0.52
S1PR2 O95136 5/20 0.49
S1PR1 P21453 5/20 0.49
S1PR3 Q99500 5/20 0.49
S1PR4 O95977 4/20 0.49
LAP3 P28838 2/20 0.48
LPAR3 Q9UBY5 3/20 0.47
LPAR1 Q92633 2/20 0.47
LPAR2 Q9HBW0 2/20 0.47
LPAR5 Q9H1C0 1/20 0.44

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
SCHEMBL29068513 0.98 SMPD1 (0.63) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL29068476 0.92 SMPD1 (0.55) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL1995547 0.87 SMPD1 (0.56) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL4185332 0.85 SMPD1 (0.54) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL11150980 0.85 SMPD1 (0.67) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL20381975 0.84 SMPD1 (0.61) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL20260300 0.84 SMPD1 (0.61) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL22844386 0.84 SMPD1 (0.61) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL29068472 0.84 METAP1 (0.52) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL10781194 0.83 SMPD1 (0.65) SMPD1PTPN1FDPSS1PR2S1PR1

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