SCHEMBL744062

SCHEMBL744062

O=C(O)c1coc(CBr)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.38
ALOX15 P16050 2/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ACMSD Q8TDX5 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
P2RY2 P41231 1/20 0.35
HIF1A Q16665 1/20 0.34
HDAC6 Q9UBN7 3/20 0.33
PTPN1 P18031 1/20 0.33
FBP1 P09467 1/20 0.33
ALDH1A1 P00352 2/20 0.33
ELANE P08246 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
PTGER1 P34995 1/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL27678917 0.85 CES1 (0.39) CES1ALOX15TSHRKDM4EACMSD
SCHEMBL16213693 0.82 FPR2 (0.39) HDAC6ALDH1A1HRH3
SCHEMBL742811 0.82 CES1 (0.39) CES1ALOX15TSHRKDM4EACMSD
SCHEMBL1760523 0.80 HCAR2 (0.39) CES1ALOX15TSHRKDM4EACMSD
SCHEMBL1811036 0.80 CES1 (0.38) CES1ALOX15TSHRKDM4EACMSD
SCHEMBL1972922 0.80 CES1 (0.38) CES1ALOX15TSHRKDM4EACMSD
SCHEMBL3590995 0.80 CES1 (0.38) CES1ALOX15TSHRKDM4EACMSD
SCHEMBL346006 0.78 CACNA1G (0.42) FBP1ALOX5APFEN1HRH3
SCHEMBL18782173 0.77 CES1 (0.39) CES1ALOX15TSHRKDM4EACMSD
SCHEMBL16011738 0.77 CES1 (0.39) CES1ALOX15TSHRKDM4EACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106928247-A Spiral shell oxindole compounds and its purposes as therapeutic agent 泽农医药公司 2017-07-07 CN disclosed
CN-102256983-B Spirooxindole compounds and their use as therapeutic agents 泽农医药公司 2017-04-05 CN disclosed
EP-2430006-B1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-26 EP disclosed
EP-2356108-B1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-10-15 EP disclosed
EP-2430006-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-21 EP disclosed
EP-2356108-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-08-17 EP disclosed
WO-2010130944-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 WO disclosed
WO-2010055267-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-05-20 WO disclosed
US-6043261-A TREATMENT OF INFLAMMATORY CONDITIONS AFFECTING THE JOINTS, FOR EXAMPLE ARTHRITIS, INFLAMMATORY BOWEL DISEASE, CARDIOVASCULAR ISCHEMIA, DIABETES, HYPERALGESIA, CEREBRAL ISCHEMIA, THROMBOTIC STROKE, GLOBAL ISCHEMIA, NERVOUS SYSTEM DISORDERS G. D. SEARLE & CO. (US) 2000-03-28 US disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
US-5883251-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 1999-03-16 US disclosed