SCHEMBL7269332

SCHEMBL7269332

CCCCCCCCOP(C)(=O)CCCCCCCC

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 10/20 0.57
LPAR2 Q9HBW0 7/20 0.57
LPAR1 Q92633 3/20 0.57
CYP3A4 P08684 1/20 0.48
LMNA P02545 1/20 0.46
ESR1 P03372 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CDC25A P30304 1/20 0.46
AGTR1 P30556 1/20 0.46
AKT1 P31749 1/20 0.46
ADRA1A P35348 1/20 0.46
KCNH2 Q12809 1/20 0.46
FAAH O00519 1/20 0.45
TRPM8 Q7Z2W7 4/20 0.43

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
SCHEMBL27636762 1.00 LPAR3 (0.57) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL27826280 1.00 LPAR3 (0.57) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL11165391 1.00 LPAR3 (0.57) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL27636765 1.00 LPAR3 (0.57) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL9309241 0.98 LPAR3 (0.54) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL7900204 0.96 CYP3A4 (0.54) LPAR3LPAR2LPAR1CYP3A4FAAH
SCHEMBL7784680 0.96 CYP3A4 (0.54) LPAR3LPAR2LPAR1CYP3A4FAAH
SCHEMBL7738766 0.93 CYP3A4 (0.56) LPAR3LPAR2LPAR1CYP3A4FAAH
SCHEMBL27480355 0.91 LPAR3 (0.57) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL575395 0.86 CYP3A4 (0.58) LPAR3LPAR2LPAR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0090692-A1 Process for recovering and purifying a residual sulphuric acid containing titanium salts RHONE-POULENC S.A. (FR) 1983-10-05 EP claimed
US-6656363-B1 Adsorbing with alumina and/or titanium oxide; liquid from a dimerization reaction of acrylonitrile with phosphorus catalysts, or from hydrocyanation reaction of butadiene RHODIA CHIMIE (FR) 2003-12-02 US disclosed