SCHEMBL29068473

SCHEMBL29068473

CCC(C)C(C(C)CC)C(C)OP(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.39
LAP3 P28838 1/20 0.34
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
METAP1 P53582 1/20 0.33
MMP3 P08254 1/20 0.33
PTPN1 P18031 1/20 0.32
LPAR3 Q9UBY5 3/20 0.30
LPAR1 Q92633 2/20 0.30
LPAR2 Q9HBW0 2/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP8 P22894 1/20 0.30
CA9 Q16790 1/20 0.30
FDPS P14324 1/20 0.30

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
SCHEMBL29068439 0.86 SMPD1 (0.39) SMPD1LAP3MMP1MMP2METAP1
SCHEMBL16225024 0.86 SMPD1 (0.42) SMPD1LAP3MMP1MMP2METAP1
SCHEMBL29068438 0.83 METAP1 (0.48) SMPD1METAP1PTPN1LPAR3LPAR1
SCHEMBL5963813 0.80 SMPD1 (0.38) SMPD1LAP3MMP1MMP2METAP1
SCHEMBL29068456 0.79 SMPD1 (0.52) SMPD1LAP3METAP1PTPN1LPAR3
SCHEMBL29068395 0.78 SMPD1 (0.59) SMPD1LAP3PTPN1LPAR3LPAR1
SCHEMBL29068453 0.78 SMPD1 (0.42) SMPD1METAP1PTPN1FDPS
SCHEMBL5963398 0.77 SMPD1 (0.39) SMPD1LAP3MMP1MMP2METAP1
SCHEMBL5963622 0.77 SMPD1 (0.39) SMPD1LAP3MMP1MMP2METAP1
SCHEMBL29068417 0.77 SMPD1 (0.44) SMPD1METAP1PTPN1LPAR3LPAR1

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