SCHEMBL7003832

SCHEMBL7003832

O=C(OCc1ccccc1)Oc1c(-c2ccc(Cl)cc2)c(-c2ccccc2)c2n1CCC2

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.55
ALOX5 P09917 12/20 0.48
PTGS1 P23219 3/20 0.46
THRB P10828 2/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX5AP P20292 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL7003600 0.88 PTGES (0.56) PTGESALOX5PTGS1THRBTP53
SCHEMBL7003381 0.88 PTGES (0.56) PTGESALOX5PTGS1THRBTP53
SCHEMBL7000442 0.85 PTGES (0.56) PTGESALOX5PTGS1THRBTP53
SCHEMBL6993174 0.85 PTGES (0.56) PTGESALOX5PTGS1THRBTP53
SCHEMBL6475565 0.83 PTGES (0.57) PTGESALOX5PTGS1THRBTP53
SCHEMBL6999924 0.82 PTGES (0.53) PTGESALOX5PTGS1THRBTP53
SCHEMBL7001954 0.76 CA1 (0.44) PTGESPTGS1SMN1; SMN2PTGS2
SCHEMBL7002209 0.76 CA1 (0.44) PTGESPTGS1SMN1; SMN2PTGS2
SCHEMBL7005247 0.74 ALOX5 (0.46) PTGESALOX5PTGS1PTGS2
SCHEMBL6476339 0.74 PTGES (0.65) PTGESALOX5PTGS1LMNASMN1; SMN2

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
EP-1246825-B1 FUSED PYRROLE COMPOUNDS, PHARMACEUTICAL AGENTS CONTAINING THE SAME, AND THE USE THEREOF MERCKLE GMBH (DE) 2003-12-17 EP disclosed