SCHEMBL29068422

SCHEMBL29068422

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.46
METAP1 P53582 2/20 0.45
FDPS P14324 6/20 0.41
PTPN1 P18031 1/20 0.37
LMNA P02545 1/20 0.34
LPAR3 Q9UBY5 3/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR2 Q9HBW0 2/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LAP3 P28838 1/20 0.32

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
SCHEMBL29068426 0.91 SMPD1 (0.48) SMPD1METAP1FDPSPTPN1LPAR3
SCHEMBL29068425 0.88 SMPD1 (0.52) SMPD1FDPSPTPN1LPAR3LPAR1
SCHEMBL29068452 0.87 SMPD1 (0.42) SMPD1METAP1FDPSPTPN1LPAR3
SCHEMBL4448119 0.86 SMPD1 (0.59) SMPD1FDPSPTPN1LPAR3LPAR1
SCHEMBL29068453 0.79 SMPD1 (0.42) SMPD1METAP1FDPSPTPN1LMNA
SCHEMBL29068472 0.78 METAP1 (0.52) SMPD1METAP1FDPSPTPN1LPAR3
SCHEMBL1995547 0.76 SMPD1 (0.56) SMPD1FDPSPTPN1LPAR3LPAR1
SCHEMBL4185332 0.75 SMPD1 (0.54) SMPD1FDPSPTPN1LPAR3LPAR1
SCHEMBL27487214 0.74 SMPD1 (0.39) SMPD1METAP1FDPSPTPN1LPAR3
SCHEMBL75908 0.74 SMPD1 (0.48) SMPD1METAP1FDPSPTPN1LPAR3

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