SCHEMBL8850651

SCHEMBL8850651

CCOC(OCC)([PH2]=O)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.58
PTGS1 P23219 2/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
RORC P51449 1/20 0.53
TRPV4 Q9HBA0 1/20 0.53
MAPT P10636 1/20 0.49
EPHX2 P34913 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL7513604 0.78 TRPV1 (0.83) TRPV1PTGS1NPC1RAB9ARORC
SCHEMBL7751798 0.76 MAPT (0.49) MAPT
SCHEMBL4689121 0.76 MEN1 (0.46) MAPTEPHX2
SCHEMBL8363736 0.74 NPC1 (0.76) TRPV1PTGS1NPC1RAB9ARORC
SCHEMBL15948139 0.74 TRPV1 (0.76) TRPV1PTGS1NPC1RAB9ARORC
SCHEMBL3238671 0.74 CA1 (0.53) NPC1RAB9AMAPT
SCHEMBL9499536 0.73 TRPV1 (0.57) TRPV1PTGS1NPC1RAB9ARORC
SCHEMBL674439 0.73 HDAC6 (0.82) TRPV1PTGS1NPC1RAB9ARORC
SCHEMBL2064051 0.73 TRPV1 (0.73) TRPV1PTGS1NPC1RAB9ARORC
SCHEMBL11730950 0.73 NPC1 (0.77) TRPV1PTGS1NPC1RAB9ARORC

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-5618801-A ADMINISTERING SUBSTITUTED DIALKOXYPHOSPHINOYLMETHYLBENZAMIDE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1997-04-08 US disclosed