SCHEMBL5107495

SCHEMBL5107495

CCO/C(=C\c1ccc(OCCN2CCOc3ccccc32)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TSHR P16473 2/20 0.42
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LTA4H P09960 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
TP53 P04637 1/20 0.38
HTR1A P08908 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL5107504 1.00 MAPT (0.46) MAPTLMNARXFP1TSHRPPARG
SCHEMBL5140361 1.00 MAPT (0.46) MAPTLMNARXFP1TSHRPPARG
SCHEMBL14265693 0.93 MAPT (0.46) MAPTLMNARXFP1TSHRPPARG
SCHEMBL14265709 0.90 MAPT (0.43) MAPTLMNARXFP1TSHRPPARG
SCHEMBL5113624 0.89 KMT2A (0.42) MAPTLMNARXFP1TSHRKMT2A
SCHEMBL5107687 0.89 KMT2A (0.42) MAPTLMNARXFP1TSHRKMT2A
SCHEMBL5107694 0.89 KMT2A (0.42) MAPTLMNARXFP1TSHRKMT2A
SCHEMBL7530767 0.82 MEN1 (0.52) MAPTTSHRPPARGPPARAKMT2A
SCHEMBL5112991 0.82 MEN1 (0.52) MAPTTSHRPPARGPPARAKMT2A
SCHEMBL5112985 0.82 MEN1 (0.52) MAPTTSHRPPARGPPARAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002543194-A 2002-12-17 JP claimed
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 claimed
EP-1175412-A1 SUBSTITUTED BICYCLIC HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTIOBESITY AND HYPOCHOLESTEROLEMIC AGENTS Dr. Reddy's Research Foundation (IN) 2002-01-30 EP claimed
WO-2000066572-A1 SUBSTITUTED BICYCLIC HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTIOBESITY AND HYPOCHOLESTEROLEMIC AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 WO claimed
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
EP-1175412-A1 SUBSTITUTED BICYCLIC HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTIOBESITY AND HYPOCHOLESTEROLEMIC AGENTS Dr. Reddy's Research Foundation (IN) 2002-01-30 EP disclosed
EP-1082313-A1 BICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-03-14 EP disclosed
WO-2000066572-A1 SUBSTITUTED BICYCLIC HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTIOBESITY AND HYPOCHOLESTEROLEMIC AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 WO disclosed
WO-1999020614-A1 BICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-04-29 WO disclosed