SCHEMBL6184956

SCHEMBL6184956

CC[C@@H]1CSc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)c(CC(=O)O)n21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.50
PTGS1 P23219 5/20 0.50
PTGS2 P35354 3/20 0.50
PTGES O14684 4/20 0.48
ALOX5AP P20292 1/20 0.48
PTGDR2 Q9Y5Y4 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 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
SCHEMBL6188857 1.00 ALOX5 (0.50) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL8396539 1.00 ALOX5 (0.50) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL6186052 0.74 ALOX5 (0.58) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL6206054 0.72 ALOX5 (0.69) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL8394211 0.72 ALOX5 (0.37) ALOX5PTGS1PTGS2KDM4EALDH1A1
SCHEMBL6497004 0.67 ALOX5 (1.00) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL6495009 0.67 ALOX5 (1.00) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL8398200 0.66 ALOX5 (0.51) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL6498829 0.66 ALOX5 (0.77) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL7002805 0.65 PTGES (0.78) ALOX5PTGS1PTGS2PTGESALOX5AP

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-0804437-B1 [a]-ANNELATED PYRROLE DERIVATIVES AND PHARMACEUTICAL USES THEREOF MERCKLE GMBH (DE) 2005-09-14 EP disclosed