SCHEMBL7979113

SCHEMBL7979113

COC(=O)c1ccc(/C=C/CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
NR1H2 P55055 1/20 0.34
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
ALDH1A1 P00352 5/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL7450811 1.00 HPGD (0.42) HPGDNPSR1MAPK1TSHRATM
SCHEMBL7508488 0.88 NPSR1 (0.35) HPGDNPSR1MAPK1TSHRATM
SCHEMBL16057069 0.76 NPSR1 (0.46) HPGDNPSR1MAPK1TSHRATM
SCHEMBL16057073 0.76 NPSR1 (0.46) HPGDNPSR1MAPK1TSHRATM
SCHEMBL16057071 0.76 NPSR1 (0.46) HPGDNPSR1MAPK1TSHRATM
SCHEMBL7449031 0.74 NPSR1 (0.45) HPGDNPSR1MAPK1TSHRATM
SCHEMBL7449036 0.74 NPSR1 (0.45) HPGDNPSR1MAPK1TSHRATM
SCHEMBL16401728 0.74 NPSR1 (0.45) HPGDNPSR1MAPK1TSHRATM
SCHEMBL16088586 0.74 NPSR1 (0.45) HPGDNPSR1MAPK1TSHRATM
SCHEMBL15550265 0.74 NPSR1 (0.45) HPGDNPSR1MAPK1TSHRATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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