SCHEMBL8544348

SCHEMBL8544348

CCOC(=O)COc1ccccc1OCC(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.55
ABCB1 P08183 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
LMNA P02545 2/20 0.50
PTPN1 P18031 1/20 0.50
S1PR4 O95977 1/20 0.50
MAPT P10636 1/20 0.50
ITGA4 P13612 1/20 0.50
HPGD P15428 1/20 0.50
S1PR1 P21453 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TLR9 Q9NR96 1/20 0.50
GLA P06280 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CASP3 P42574 1/20 0.48
CASP7 P55210 1/20 0.48

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
SCHEMBL2010417 0.87 USP2 (0.67) USP2ABCB1SMN1; SMN2ALDH1A1NPC1
SCHEMBL2170548 0.85 USP2 (0.55) USP2ABCB1SMN1; SMN2ALDH1A1NPC1
SCHEMBL15551585 0.85 USP2 (0.55) USP2ABCB1SMN1; SMN2ALDH1A1NPC1
SCHEMBL10030744 0.84 AR (0.51) SMN1; SMN2ALDH1A1LMNAS1PR4MAPT
SCHEMBL11825493 0.84 GLA (0.68) USP2ABCB1SMN1; SMN2ALDH1A1NPC1
SCHEMBL5318188 0.81 SMN1; SMN2 (0.64) USP2ABCB1SMN1; SMN2ALDH1A1NPC1
SCHEMBL257483 0.80 USP2 (0.58) USP2ABCB1SMN1; SMN2ALDH1A1NPC1
Ethyl Bromo Acetate SCHEMBL5783532 0.80 USP2 (0.58) USP2ABCB1SMN1; SMN2ALDH1A1NPC1
SCHEMBL2871937 0.79 MAPT (0.62) USP2ABCB1SMN1; SMN2ALDH1A1NPC1
SCHEMBL12840659 0.79 L3MBTL1 (0.61) SMN1; SMN2ALDH1A1LMNAS1PR4MAPT

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-2012147107-A2 NOVEL & IMPROVED PROCESSES FOR THE PREPARATION OF INDOLINE DERIVATIVES AND ITS PHARMACEUTICAL COMPOSITION MSN LABORATORIES LIMITED (IN) 2012-11-01 WO claimed
WO-2012147107-A2 NOVEL & IMPROVED PROCESSES FOR THE PREPARATION OF INDOLINE DERIVATIVES AND ITS PHARMACEUTICAL COMPOSITION MSN LABORATORIES LIMITED (IN) 2012-11-01 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