SCHEMBL9703972

SCHEMBL9703972

C=CCNC(=S)C(C(=O)OCC=C(C)CCC=C(C)C)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.42
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL9703962 1.00 TRPV1 (0.42) TRPV1ALDH1A1ALOX15
SCHEMBL9703934 0.91 ALDH1A1 (0.41) ALDH1A1
SCHEMBL9704877 0.88 TRPV1 (0.46) TRPV1ALDH1A1ALOX15
SCHEMBL10688378 0.88 TRPV1 (0.46) TRPV1ALDH1A1ALOX15
SCHEMBL9703121 0.87 TRPV1 (0.46) TRPV1ALDH1A1ALOX15
SCHEMBL9703133 0.87 TRPV1 (0.46) TRPV1ALDH1A1ALOX15
SCHEMBL9703954 0.87 TRPV1 (0.45) TRPV1ALDH1A1ALOX15
SCHEMBL9703951 0.83 TRPV1 (0.47) TRPV1ALDH1A1ALOX15
SCHEMBL9703944 0.83 TRPV1 (0.47) TRPV1ALDH1A1ALOX15
SCHEMBL9702676 0.81 SMN1; SMN2 (0.48) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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