SCHEMBL9608613

SCHEMBL9608613

CCOC(=O)/C=C/C=C/CCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
HCAR2 Q8TDS4 2/20 0.46
AKR1B10 O60218 4/20 0.44
AKR1B1 P15121 4/20 0.44
ALOX5 P09917 2/20 0.43
GPR52 Q9Y2T5 3/20 0.42
LMNA P02545 2/20 0.41
MDM4 O15151 1/20 0.41
MDM2 Q00987 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL31682746 0.95 MAPT (0.53) MAPTHCAR2AKR1B10AKR1B1TRPV1
SCHEMBL9608866 0.92 MAPT (0.51) MAPTHCAR2AKR1B10AKR1B1GPR52
SCHEMBL10453292 0.84 MAPT (0.45) MAPTHCAR2AKR1B10AKR1B1GPR52
SCHEMBL10593990 0.82 MAPT (0.52) MAPTHCAR2LMNAMDM4MDM2
SCHEMBL10593997 0.82 MAPT (0.52) MAPTHCAR2LMNAMDM4MDM2
SCHEMBL10896168 0.82 ALOX5 (0.48) MAPTALOX5
SCHEMBL10896173 0.82 ALOX5 (0.48) MAPTALOX5
SCHEMBL1268422 0.81 MAPT (0.62) MAPTHCAR2GPR52
SCHEMBL1268421 0.81 MAPT (0.62) MAPTHCAR2GPR52
SCHEMBL8515991 0.81 TAAR1 (0.51) MAPTHCAR2GPR52TRPV1

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
WO-2012069605-A1 NOVEL E,E-DIENE COMPOUNDS AND THEIR USE AS MEDICAMENTS AND COSMETICS DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2012-05-31 WO disclosed