SCHEMBL5209596

SCHEMBL5209596

CCOC(=O)/C=C/c1cccc(OSC(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.51
DPP4 P27487 1/20 0.51
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
MAOB P27338 1/20 0.47
MAPT P10636 2/20 0.47
CYP3A4 P08684 1/20 0.46
FDPS P14324 1/20 0.45
HPGD P15428 1/20 0.45
HCRTR1 O43613 1/20 0.45
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL1895095 0.85 MAPT (0.53) TTRDPP4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1895094 0.85 MAPT (0.53) TTRDPP4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2392289 0.81 KDM4E (0.52) TTRDPP4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL27537154 0.81 KDM4E (0.52) TTRDPP4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1210331 0.81 MAOB (0.60) TTRDPP4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL9599969 0.81 KDM4E (0.74) TTRDPP4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL9599975 0.81 KDM4E (0.74) TTRDPP4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1210329 0.81 MAOB (0.60) TTRDPP4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL29421074 0.81 MAOB (0.60) TTRDPP4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5209067 0.81 KDM4E (0.57) ALDH1A1KDM4ESMN1; SMN2MAOBALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040103-B1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-03-14 EP disclosed
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
US-6268354-B1 Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-31 US disclosed
US-6172061-B1 AIDS THERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
US-6166006-A Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed
EP-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed