SCHEMBL11266044

SCHEMBL11266044

O=C(c1ccccc1)C(Br)Cc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.51
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP12 P39900 1/20 0.50
RAB9A P51151 3/20 0.49
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
CPA1 P15085 1/20 0.42
PTPN1 P18031 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL27719934 0.93 RAB9A (0.56) MDM2MMP2MMP9MMP12RAB9A
SCHEMBL4257686 0.88 MDM2 (0.66) MDM2MMP2MMP9MMP12ALDH1A1
SCHEMBL20766143 0.80 CPA1 (0.51) PPARGPPARAALDH1A1KMT2ACPA1
SCHEMBL8335791 0.80 CPA1 (0.51) PPARGPPARAALDH1A1KMT2ACPA1
SCHEMBL1303759 0.80 ALDH1A1 (0.50) ALDH1A1LMNAKMT2A
SCHEMBL31561615 0.80 MDM2 (0.51) MDM2MMP2MMP9MMP12RAB9A
SCHEMBL1304165 0.79 NPC1 (0.53) RAB9AALDH1A1MEN1LMNAKMT2A
SCHEMBL1302717 0.78 CES2 (0.53) MDM2RAB9AALDH1A1MEN1KMT2A
SCHEMBL19953141 0.75 EPHX1 (0.44) PPARGPPARACPA1PTPN1
SCHEMBL10656178 0.74 MDM2 (0.47) MDM2RAB9AALDH1A1MEN1LMNA

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
CN-101250133-B Novel method for synthesizing (+/-)p-fluoro-2-(2-methyl-propionyl)-4-oxygen-N,3-diphenyl-benzenebutanamide and intermediate therein INST MATERIA MEDICA CAMS 2010-06-09 CN claimed
CN-101250133-A Novel method for synthesizing (+/-)p-fluoro-2-(2-methyl-propionyl)-4-oxygen-N,3-diphenyl-benzenebutanamide and intermediate therein INST MATERIA MEDICA CAMS (CN) 2008-08-27 CN claimed
CN-100368386-C Method for synthesizing (+/-) p-fluoro-2- (2-methyl-propionyl) -4-oxy-N, 3-diphenyl-phenylbutylamide and intermediate thereof INST OF MEDICAL MATERIALS CHIN (CN) 2008-02-13 CN claimed
CN-1325844-A Novel synthesis method of (+/-) p-fluoro-2- (2-methyl-propionyl) -4-oxo-N, 3-diphenyl-phenylbutylamide and intermediate thereof INST OF MEDICAL MATERIALS CHIN (CN) 2001-12-12 CN claimed
CN-101250133-B Novel method for synthesizing (+/-)p-fluoro-2-(2-methyl-propionyl)-4-oxygen-N,3-diphenyl-benzenebutanamide and intermediate therein INST MATERIA MEDICA CAMS 2010-06-09 CN disclosed
CN-101250133-A Novel method for synthesizing (+/-)p-fluoro-2-(2-methyl-propionyl)-4-oxygen-N,3-diphenyl-benzenebutanamide and intermediate therein INST MATERIA MEDICA CAMS (CN) 2008-08-27 CN disclosed
CN-100368386-C Method for synthesizing (+/-) p-fluoro-2- (2-methyl-propionyl) -4-oxy-N, 3-diphenyl-phenylbutylamide and intermediate thereof INST OF MEDICAL MATERIALS CHIN (CN) 2008-02-13 CN disclosed
CN-1325844-A Novel synthesis method of (+/-) p-fluoro-2- (2-methyl-propionyl) -4-oxo-N, 3-diphenyl-phenylbutylamide and intermediate thereof INST OF MEDICAL MATERIALS CHIN (CN) 2001-12-12 CN disclosed
US-4349557-A ANTIDEPRESSANTS SYNTHELABO (FR) 1982-09-14 US disclosed