SCHEMBL9702845

SCHEMBL9702845

CC(C)=CCCC(C)=CCOC(=O)Cc1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.59
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL9702838 1.00 TRPV1 (0.59) TRPV1ALDH1A1ALOX15
SCHEMBL272534 0.81 TRPV1 (0.78) TRPV1ALDH1A1ALOX15
SCHEMBL272535 0.81 TRPV1 (0.78) TRPV1ALDH1A1ALOX15
SCHEMBL30629784 0.81 TRPV1 (0.78) TRPV1ALDH1A1ALOX15
SCHEMBL14763569 0.81 TRPV1 (0.78) TRPV1ALDH1A1ALOX15
SCHEMBL31087224 0.80 TRPV1 (0.57) TRPV1ALDH1A1ALOX15
SCHEMBL9240814 0.80 TRPV1 (0.76) TRPV1ALDH1A1ALOX15
SCHEMBL10484378 0.78 ALOX15 (0.43) TRPV1ALDH1A1ALOX15
SCHEMBL10484384 0.78 ALOX15 (0.43) TRPV1ALDH1A1ALOX15
SCHEMBL9644719 0.77 PGR (0.47) TRPV1ALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0223512-B1 2-PYRIDYLACETIC ACID DERIVATIVE, PREPARATION PROCESS THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SUNTORY LIMITED (JP) 1992-07-08 EP disclosed
US-4738977-A 2-pyridylacetic acid derivatives, pharmaceutical composition containing the same and their use in treating ulcers SUNTORY LIMITED (JP) 1988-04-19 US disclosed
EP-0223512-A2 2-Pyridylacetic acid derivative, preparation process thereof and pharmaceutical composition containing the same SUNTORY LIMITED (JP) 1987-05-27 EP disclosed