SCHEMBL5155449

SCHEMBL5155449

O=C/C=C/C1=CC=CC=C(/C=C/C=O)C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TRPA1 O75762 1/20 0.36
LMNA P02545 1/20 0.36
ALOX5 P09917 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
XDH P47989 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
SCHEMBL5155455 1.00 ALDH1A1 (0.36) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL9918688 0.76
SCHEMBL17249470 0.76
SCHEMBL9918687 0.75 ALDH1A1 (0.32) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL14138306 0.73 TRPA1 (0.31) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL14303933 0.66
SCHEMBL27541089 0.62
SCHEMBL11665315 0.61
SCHEMBL11094445 0.61 ALDH1A1 (0.32) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL471236 0.61 ALDH1A1 (0.32) ALDH1A1TRPA1LMNAALOX5MAPK1

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-1262476-B1 PROCESSES FOR PREPARING QUINOLINE DERIVATIVES AND INTERMEDIATES THEREOF NISSAN CHEMICAL IND LTD (JP) 2007-01-10 EP disclosed