SCHEMBL1710907

SCHEMBL1710907

CS(=O)(=O)OCCC1CCCN(C(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.37
PKM P14618 1/20 0.37
ATM Q13315 1/20 0.37
GAA P10253 1/20 0.35
GRM3 Q14832 3/20 0.34
TAAR1 Q96RJ0 1/20 0.34
AKR1C3 P42330 1/20 0.34
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL2126089 0.91 GPR119 (0.34) ALDH1A1ATMAKR1C3LMNA
SCHEMBL2126084 0.91 GPR119 (0.34) ALDH1A1ATMAKR1C3LMNA
SCHEMBL25288406 0.91 GPR119 (0.34) ALDH1A1ATMAKR1C3LMNA
SCHEMBL3596666 0.85 ALDH1A1 (0.38) ALDH1A1PKMATMGAAGRM3
SCHEMBL3261975 0.85 ALDH1A1 (0.38) ALDH1A1PKMATMGAAGRM3
SCHEMBL1710403 0.85 ALDH1A1 (0.38) ALDH1A1PKMATMGAAGRM3
SCHEMBL21063450 0.85 KDM4E (0.38) ALDH1A1LMNA
SCHEMBL30922520 0.83 MEN1 (0.47) ALDH1A1
SCHEMBL1710891 0.83 MEN1 (0.47) ALDH1A1
SCHEMBL3780679 0.82 GAA (0.40) ALDH1A1PKMGAAGRM3AKR1C3

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
EP-3224258-A1 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS Genentech, Inc. (US) 2017-10-04 EP disclosed
WO-2016086200-A9 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH, INC. (US) 2016-06-23 WO disclosed
WO-2016086200-A1 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH, INC. (US) 2016-06-02 WO disclosed
EP-2344450-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Merck Sharp & Dohme Corp. (US) 2011-07-20 EP disclosed
WO-2010036589-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. (US) 2010-04-01 WO disclosed