SCHEMBL7900204

SCHEMBL7900204

CCCCCCCCP(C)(=O)OCCCC

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.54
LPAR3 Q9UBY5 9/20 0.52
LPAR2 Q9HBW0 6/20 0.52
LPAR1 Q92633 2/20 0.52
FAAH O00519 1/20 0.45
TRPM8 Q7Z2W7 4/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL7784680 1.00 CYP3A4 (0.54) CYP3A4LPAR3LPAR2LPAR1FAAH
SCHEMBL7738766 0.98 CYP3A4 (0.56) CYP3A4LPAR3LPAR2LPAR1FAAH
SCHEMBL11165391 0.96 LPAR3 (0.57) CYP3A4LPAR3LPAR2LPAR1FAAH
SCHEMBL27636765 0.96 LPAR3 (0.57) CYP3A4LPAR3LPAR2LPAR1FAAH
SCHEMBL27826280 0.96 LPAR3 (0.57) CYP3A4LPAR3LPAR2LPAR1FAAH
SCHEMBL27636762 0.96 LPAR3 (0.57) CYP3A4LPAR3LPAR2LPAR1FAAH
SCHEMBL7269332 0.96 LPAR3 (0.57) CYP3A4LPAR3LPAR2LPAR1FAAH
SCHEMBL9309241 0.93 LPAR3 (0.54) CYP3A4LPAR3LPAR2LPAR1FAAH
SCHEMBL575395 0.91 CYP3A4 (0.58) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL27480355 0.87 LPAR3 (0.57) CYP3A4LPAR3LPAR2LPAR1FAAH

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
US-6194605-B1 REACTING DIALKYLPHOSPHINIC ACID ESTER OR DIPHOSPHINIC ACID ESTER IN PRESENCE OF SOLVENT AND REACTION SATURATED ALIPHATIC MONOCARBOXYLIC ACID WITH ALUMINUM HYDROXIDE IN A CLOSED PRESSURE-RESISTANT REACTION VESSEL TICONA GMBH (DE) 2001-02-27 US disclosed