SCHEMBL17787398

SCHEMBL17787398

C/C=C\C=C/C=C/CC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.38
CNR1 P21554 7/20 0.38
SOAT1 P35610 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TRPA1 O75762 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL10262569 0.97
SCHEMBL316445 0.80 ALDH1A1 (0.52) CNR2CNR1SOAT1ALDH1A1TRPA1
SCHEMBL16116686 0.80 ALDH1A1 (0.52) CNR2CNR1SOAT1ALDH1A1TRPA1
SCHEMBL315763 0.80 ALDH1A1 (0.52) CNR2CNR1SOAT1ALDH1A1TRPA1
SCHEMBL316444 0.80 ALDH1A1 (0.52) CNR2CNR1SOAT1ALDH1A1TRPA1
SCHEMBL315764 0.80 ALDH1A1 (0.52) CNR2CNR1SOAT1ALDH1A1TRPA1
SCHEMBL28002547 0.79 SOAT1 (0.40) CNR2CNR1SOAT1ALDH1A1TRPA1
SCHEMBL11509291 0.78
SCHEMBL5605355 0.78
SCHEMBL2619425 0.78

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
US-9351947-B2 Use of catecholamines and related compounds as anti-angiogenic agents NATIONAL RESEARCH COUNCIL OF CANADA 2016-05-31 US disclosed