SCHEMBL4015306

SCHEMBL4015306

O=CC(Br)(c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 9/20 0.50
KCNE1 P15382 1/20 0.42
KCNQ1 P51787 1/20 0.42
NFE2L2 Q16236 1/20 0.41
KIF11 P52732 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TSHR P16473 1/20 0.37
RORC P51449 1/20 0.36

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
SCHEMBL1414647 0.89 ESR1 (0.41) KCNN4ALDH1A1MEN1LMNAKMT2A
SCHEMBL20703304 0.81 SMN1; SMN2 (0.50) KCNN4SMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL5528030 0.80 ALDH1A1 (0.43) KCNN4KIF11SMN1; SMN2ALDH1A1MEN1
SCHEMBL5255832 0.78 ESR1 (0.59) KIF11ALDH1A1MEN1LMNAKMT2A
SCHEMBL21495110 0.78 KIF11 (0.43) KIF11SMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL8796837 0.78 KIF11 (0.43) KIF11SMN1; SMN2HTTL3MBTL1MEN1
Bromide SCHEMBL8121179 0.78 USP2 (0.55) KCNN4KIF11L3MBTL1MEN1KMT2A
SCHEMBL13735010 0.77 KCNN4 (0.48) KCNN4KCNE1KCNQ1NFE2L2KIF11
SCHEMBL4020288 0.77 KCNN4 (0.53) KCNN4KCNE1KCNQ1NFE2L2KIF11
SCHEMBL3229246 0.76 NFE2L2 (0.53) NFE2L2SMN1; SMN2ALDH1A1L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016142954-A2 IMPROVED PROCESS FOR THE PREPARATION OF [3R,5R]-2-FLUOROPHENYL-β,δ- DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4-[(2-HYDROXYPHENYLAMINO)- CARBONYL]-1H-PYRROLE-1-HEPTANOIC ACID, SODIUM SALT MSN LABORATORIES PRIVATE LIMITED (IN) 2016-09-15 WO claimed
WO-2016142954-A2 IMPROVED PROCESS FOR THE PREPARATION OF [3R,5R]-2-FLUOROPHENYL-β,δ- DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4-[(2-HYDROXYPHENYLAMINO)- CARBONYL]-1H-PYRROLE-1-HEPTANOIC ACID, SODIUM SALT MSN LABORATORIES PRIVATE LIMITED (IN) 2016-09-15 WO disclosed
WO-2012143933-A1 A PROCESS FOR PREPARATION OF 4-FLUORO-α-[2-METHYL-L-OXOPROPYL]-γ-OXO-N-β-DIPHENYLBENZENE BUTANE AMIDE VIJAYASRI ORGANICS LIMITED (IN) 2012-10-26 WO disclosed
WO-2009084827-A2 SYNTHETIC INTERMEDIATES, PROCESS FOR PREPARING PYRROLYLHEPTANOIC ACID DERIVATIVES THEREFROM DONG-A PHARM.CO., LTD. (KR) 2009-07-09 WO 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