SCHEMBL9532669

SCHEMBL9532669

CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(F)cc3)cn2C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.43
PTGS1 P23219 3/20 0.41
ALOX5 P09917 3/20 0.40
PTGES O14684 2/20 0.39
ALOX5AP P20292 1/20 0.39
MEN1 O00255 1/20 0.38
CASP3 P42574 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
NCOA1 Q15788 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL1839904 0.86 PTGES (0.52) PTGS2PTGS1ALOX5PTGESALOX5AP
SCHEMBL6477263 0.72 PTGS2 (0.71) PTGS2PTGS1ALOX5KMT2A
SCHEMBL7559353 0.71 ALOX5 (0.36) PTGS2PTGS1ALOX5PTGESALOX5AP
SCHEMBL9536280 0.71 ALOX5 (0.48) PTGS2PTGS1ALOX5PTGESALOX5AP
SCHEMBL6290796 0.66 MAPK14 (0.42)
SCHEMBL6187785 0.64 PTGS1 (0.43) PTGS2PTGS1ALOX5PTGESALOX5AP
SCHEMBL27649740 0.63 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL9267895 0.62 NPC1 (0.36) PTGS2PTGS1ALOX5PTGESALOX5AP
SCHEMBL18241028 0.61 PTGS2 (0.55) PTGS2PTGS1
Hydrogen Sulfide SCHEMBL27719947 0.61 PTGS2 (0.55) PTGS2PTGS1

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-0397175-B1 Substituted pyrrolizine compounds and theit use as pharmaceuticals DANNHARDT GERD PROF DR (DE) 1993-12-08 EP disclosed