SCHEMBL11027299

SCHEMBL11027299

c1ccc(P(OC2CCCC(OP(c3ccccc3)c3ccccc3)C2)c2ccccc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FURIN P09958 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A3 Q01959 2/20 0.32
FFAR4 Q5NUL3 2/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 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
SCHEMBL4451111 0.92 CYP3A4 (0.35) CYP3A4TDP1OPRM1OPRD1OPRK1
SCHEMBL1726166 0.86 FABP7 (0.36) CYP3A4TDP1
SCHEMBL4457992 0.83 CYP3A4 (0.38) CYP3A4TDP1SLC6A4SLC6A2SLC6A3
SCHEMBL6860443 0.82 OPRM1 (0.33) OPRM1OPRD1OPRK1
SCHEMBL11029955 0.79 CYP3A4 (0.35) CYP3A4TDP1OPRM1OPRD1OPRK1
SCHEMBL4454309 0.75 CYP3A4 (0.35) CYP3A4TDP1
SCHEMBL2912861 0.75 CYP3A4 (0.35) CYP3A4TDP1OPRM1OPRD1OPRK1
SCHEMBL5168607 0.75 CYP3A4 (0.35) CYP3A4TDP1OPRM1OPRD1OPRK1
SCHEMBL6854137 0.72 LMNA (0.33) CYP3A4TDP1
SCHEMBL6860925 0.71 TRPA1 (0.34)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0083158-B1 NOVEL ALDEHYDES AND PROCESS FOR PRODUCING THE SAME TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1985-08-07 EP disclosed
EP-0083158-A1 Novel aldehydes and process for producing the same TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1983-07-06 EP disclosed
US-4370258-A PLATINUM CATALYST, INB METAL HALIDE ASSISTANT CATALYST AND BIDENTATE LIGAND PROMOTER AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) 1983-01-25 US disclosed
US-4358621-A CATALYTIC HYDROFORMYLATION OF OLEFIN TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1982-11-09 US disclosed
US-4229381-A HYDROFORMYLATION OF OLEFINS; PLATINUM CATALYST; BIDENTATE LIGAND AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) 1980-10-21 US disclosed