SCHEMBL5103992

SCHEMBL5103992

CS(=O)(=O)OCCC1CNc2ccccc2O1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.41
HPGD P15428 1/20 0.41
HTR1A P08908 3/20 0.38
NISCH Q9Y2I1 1/20 0.36
CA2 P00918 7/20 0.35
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
PARP1 P09874 1/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 2/20 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
SCHEMBL8569345 0.82 CASR (0.45) CASRHPGDHTR1ANISCHBRD4
SCHEMBL8565689 0.82 CASR (0.45) CASRHPGDHTR1ANISCHBRD4
SCHEMBL8565687 0.82 CASR (0.45) CASRHPGDHTR1ANISCHBRD4
SCHEMBL4824743 0.77 HPGD (0.51) CASRHPGDHTR1ANISCHBRD4
SCHEMBL1545033 0.77 CA2 (0.56) CA2LMNA
SCHEMBL23856953 0.76 LMNA (0.42) HPGDPKMLMNA
SCHEMBL7476692 0.74 CASR (0.45) CASRHPGDHTR1ANISCHBRD4
SCHEMBL21490280 0.74 HPGD (0.45) CASRHPGDHTR1ANISCHCA2
SCHEMBL17150937 0.74 CASR (0.50) CASRHPGDHTR1ANISCHBRD4
SCHEMBL30112409 0.74 CASR (0.50) CASRHPGDHTR1ANISCHBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348426-B1 Substituted bicyclic heterocycles, process for their preparation and their use as antiobesity and hypocholesterolemic agents DR. REDDY'S LABORATIES LIMITED (IN) 2008-03-25 US disclosed
CN-1353699-A Substituted bicyclic heterocycles, process for their preparation and their use as antiobesity and hypocholesterolemic agents REDDY RESEARCH FOUNDATION (IN) 2002-06-12 CN disclosed