SCHEMBL4537271

SCHEMBL4537271

[CH2]COc1ccccc1OCC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
USP2 O75604 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
THRB P10828 1/20 0.44
G6PD P11413 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
S1PR2 O95136 1/20 0.38
S1PR4 O95977 1/20 0.38
GAA P10253 1/20 0.38
XBP1 P17861 1/20 0.38

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
SCHEMBL28288419 0.89 MAPT (0.52) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL9584860 0.82 KDM4E (0.46) MAPTALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL5416008 0.80 SLC6A2 (0.45) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2350321 0.79 CA12 (0.54) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2089098 0.79 RXRA (0.49) ALDH1A1KDM4EL3MBTL1GAASLC6A2
SCHEMBL10316560 0.79 L3MBTL1 (0.53) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2770865 0.79 MAPT (0.44) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL535975 0.79 RXRA (0.49) L3MBTL1MRGPRX1
SCHEMBL14237715 0.78 MAPT (0.42) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL3035171 0.77 MAPT (0.45) MAPTALDH1A1KDM4EMEN1KMT2A

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-2012147019-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF SILODOSIN ORCHID CHEMICALS AND PHARAMCEUTICALS LIMITED (IN) 2012-11-01 WO disclosed
WO-2012062229-A1 A METHOD OF MANUFACTURING (-)-L-(3-HYDROXYPROPYL)-5-[(2R)-2-({2,2,2-TRIFLUOROETHOXY)- PHENOXYETHYL}AMINO)PROPYL]-2,3-DIHYDRO-LH-INDOLE-7-CARBOXAMIDE ZENTIVA, K.S. (CZ) 2012-05-18 WO disclosed
EP-0600675-B1 Indoline compounds for the treatment of dysuria KISSEI PHARMACEUTICAL (JP) 1998-07-08 EP disclosed
US-5387603-A Treating dysuria (painful urination) with less hypotension; FDA Orange book listed patent for silodosin KISSEI PHARMACEUTICAL CO., LTD. (JP) 1995-02-07 US disclosed
EP-0600675-A1 Indoline compounds for the treatment of dysuria Kissei Pharmaceutical Co., Ltd. (JP) 1994-06-08 EP disclosed