SCHEMBL9500892

SCHEMBL9500892

CCOP(=O)(Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)OCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
LMNA P02545 3/20 0.54
GAA P10253 2/20 0.54
RAB9A P51151 1/20 0.53
PTGDR2 Q9Y5Y4 2/20 0.52
KDR P35968 1/20 0.50
MEN1 O00255 2/20 0.49
HTT P42858 2/20 0.49
KMT2A Q03164 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
GRM4 Q14833 1/20 0.47
TMPRSS4 Q9NRS4 1/20 0.47
BRAF P15056 1/20 0.46
HDAC1 Q13547 1/20 0.46
RAF1 P04049 1/20 0.46
EPHX2 P34913 1/20 0.46

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
SCHEMBL9501978 0.87 MAPT (0.56) MAPTLMNAGAARAB9APTGDR2
SCHEMBL9499536 0.83 TRPV1 (0.57) MAPTLMNARAB9AHDAC1
SCHEMBL10823192 0.81 IDO1 (0.50) MAPTLMNAKDR
SCHEMBL7164864 0.81 NPC1 (0.52) MAPTLMNAGAARAB9AMEN1
SCHEMBL10184841 0.79 KDR (0.59) MAPTLMNAGAARAB9APTGDR2
SCHEMBL13988583 0.79 PTGDR2 (0.57) MAPTLMNAGAARAB9APTGDR2
SCHEMBL9500932 0.78 RAB9A (0.58) MAPTLMNAGAARAB9AMEN1
SCHEMBL11793308 0.78 KDR (0.68) MAPTLMNAGAARAB9AKDR
SCHEMBL9499648 0.77 NPC1 (0.59) MAPTLMNAGAARAB9AMEN1
SCHEMBL3973967 0.76 KDR (0.66) MAPTLMNAGAARAB9APTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273444-B1 USE OF CARBOXAMIDE COMPOUNDS FOR THE PREPARATION OF A MEDICAMENT FOR TREATING HYPERLIPIDEMIA OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1993-05-05 EP claimed
US-5081112-A Administering an aryl phosphonate carboxamide OTSUKA PHARMACEUTICAL FACTORY INC. (JP) 1992-01-14 US claimed
EP-0273444-A2 Use of carboxamide compounds for the preparation of a medicament for treating hyperlipidemia OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1988-07-06 EP claimed
EP-0273444-B1 USE OF CARBOXAMIDE COMPOUNDS FOR THE PREPARATION OF A MEDICAMENT FOR TREATING HYPERLIPIDEMIA OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1993-05-05 EP disclosed
US-5081112-A Administering an aryl phosphonate carboxamide OTSUKA PHARMACEUTICAL FACTORY INC. (JP) 1992-01-14 US disclosed
EP-0273444-A2 Use of carboxamide compounds for the preparation of a medicament for treating hyperlipidemia OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1988-07-06 EP disclosed