SCHEMBL29068452

SCHEMBL29068452

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.42
LAP3 P28838 1/20 0.37
PTPN1 P18031 1/20 0.33
LPAR3 Q9UBY5 3/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR2 Q9HBW0 2/20 0.32
METAP1 P53582 2/20 0.32
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP8 P22894 1/20 0.32
CA9 Q16790 1/20 0.32
FDPS P14324 3/20 0.32
LPAR5 Q9H1C0 1/20 0.32
MMP3 P08254 1/20 0.31
BLM P54132 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL29068422 0.87 SMPD1 (0.46) SMPD1LAP3PTPN1LPAR3LPAR1
SCHEMBL29068425 0.83 SMPD1 (0.52) SMPD1LAP3PTPN1LPAR3LPAR1
SCHEMBL4448119 0.82 SMPD1 (0.59) SMPD1LAP3PTPN1LPAR3LPAR1
SCHEMBL29068426 0.81 SMPD1 (0.48) SMPD1PTPN1LPAR3LPAR1LPAR2
SCHEMBL3898905 0.80 SMPD1 (0.42) SMPD1LAP3PTPN1LPAR3LPAR1
SCHEMBL29068439 0.76 SMPD1 (0.39) SMPD1LAP3PTPN1LPAR3LPAR1
SCHEMBL5963813 0.75 SMPD1 (0.38) SMPD1LAP3PTPN1METAP1MMP1
SCHEMBL18769166 0.74 SMPD1 (0.45) SMPD1LAP3PTPN1LPAR3LPAR1
SCHEMBL907147 0.74 SMPD1 (0.45) SMPD1LAP3PTPN1LPAR3LPAR1
SCHEMBL27823317 0.74 SMPD1 (0.56) SMPD1LAP3PTPN1LPAR3LPAR1

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