SCHEMBL7449031

SCHEMBL7449031

COC(=O)c1ccc(/C=C\CCl)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 1/20 0.45
PPARG P37231 1/20 0.45
NCOA2 Q15596 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
HPGD P15428 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 2/20 0.34
HSD17B10 Q99714 1/20 0.34
PARP1 P09874 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
SCHEMBL7449036 1.00 NPSR1 (0.45) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL7451417 1.00 NPSR1 (0.45) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL16057069 0.86 NPSR1 (0.46) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL16057071 0.86 NPSR1 (0.46) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL16057073 0.86 NPSR1 (0.46) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL15550265 0.84 NPSR1 (0.45) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL16401728 0.84 NPSR1 (0.45) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL16088586 0.84 NPSR1 (0.45) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL20027243 0.78 NPSR1 (0.47) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL4082145 0.78 MAPK1 (0.53) NPSR1LMNAPPARGNCOA2NCOA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187825-A1 THIOPHENE INTEGRIN INHIBITORS Shire Biochem Inc. (CA) 2002-03-20 EP disclosed
US-6274620-B1 2-BENZENESULFONYLAMINO-3-((5-BROMO-THIOPHENE-2-CARBONYL)-AMINO )PROPIONIC ACID-TERT-BUTYL ESTERS AS ANGIOGENESIS INHIBITORS; ANTICARCINOGENIC AGENTS; OSTEOPOROSIS, RESTENOSIS, AND OCULAR NEOVASCULARIZATION BIOCHEM PHARMA INC. (CA) 2001-08-14 US disclosed
WO-2000075129-A1 THIOPHENE INTEGRIN INHIBITORS SHIRE BIOCHEM INC. (CA) 2000-12-14 WO disclosed