SCHEMBL27643170

SCHEMBL27643170

CC(C)(C)c1ccc(-c2ccc3c(c2)c(-c2ccccc2)c(C(=O)ON)n3Cc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 9/20 0.63
PLA2G2A P14555 1/20 0.51
MAPK8 P45983 5/20 0.46
PTGES2 Q9H7Z7 3/20 0.45
PTGES O14684 1/20 0.45
PPARG P37231 1/20 0.45
ICMT O60725 1/20 0.44

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
SCHEMBL27643174 0.98 SERPINE1 (0.66) SERPINE1PLA2G2AMAPK8PTGES2PTGES
SCHEMBL27643178 0.85 SERPINE1 (0.50) SERPINE1PLA2G2AMAPK8ICMT
SCHEMBL4887373 0.82 SERPINE1 (0.55) SERPINE1PLA2G2AMAPK8PPARG
SCHEMBL27643855 0.80 SERPINE1 (0.52) SERPINE1PLA2G2AMAPK8
SCHEMBL4980302 0.77 SERPINE1 (1.00) SERPINE1PTGES2PTGESPPARG
SCHEMBL4891631 0.77 AR (0.56) SERPINE1PLA2G2A
SCHEMBL4982359 0.77 SERPINE1 (0.92) SERPINE1MAPK8PTGES2PTGESPPARG
SCHEMBL5812761 0.77 PTGES (0.65) SERPINE1PLA2G2APTGESPPARG
SCHEMBL13168309 0.76 SERPINE1 (0.49) SERPINE1PLA2G2AMAPK8PPARG
SCHEMBL5172234 0.76 SERPINE1 (0.66) SERPINE1PTGESPPARG

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
CN-1890214-A Heterocyclic- or aryloxy, -thio or -amino substituted indoles-2-carboxylic acids or esters as pai-1 WYETH CORP (US) 2007-01-03 CN disclosed