SCHEMBL2001682

SCHEMBL2001682

C=CNc1ccc(C=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.43
CYP2A13 Q16696 1/20 0.43
HSD17B10 Q99714 1/20 0.42
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
ALDH1A1 P00352 8/20 0.40
ALDH1A3 P47895 2/20 0.40
ALDH3A1 P30838 1/20 0.40
EGFR P00533 2/20 0.39
TYR P14679 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
STS P08842 1/20 0.33

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
SCHEMBL31153234 0.82 ALDH1A1 (0.35) ALDH1A1
SCHEMBL7232637 0.80 ALDH1A1 (0.56) CYP2A6CYP2A13HSD17B10ALDH5A1ABAT
SCHEMBL18773957 0.80 ALDH1A1 (0.58) ALDH1A1
SCHEMBL7554959 0.74 CYP2A6 (0.50) CYP2A6CYP2A13HSD17B10ALDH5A1ABAT
SCHEMBL29503107 0.74 HTT (0.33) ALDH1A1
Formaldehyde SCHEMBL20477527 0.73 CYP2A6 (0.61) CYP2A6CYP2A13HSD17B10ALDH5A1ABAT
SCHEMBL4956384 0.72 CYP2A6 (0.69) CYP2A6CYP2A13HSD17B10ALDH5A1ABAT
SCHEMBL31171 0.72 CYP2A6 (0.69) CYP2A6CYP2A13HSD17B10ALDH5A1ABAT
SCHEMBL1451254 0.71 ALDH1A1 (0.52) ALDH1A1
SCHEMBL16317268 0.71 ALDH1A1 (0.31) 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-8309657-B2 Rubber composition BRIDGESTONE CORPORATION (JP) 2012-11-13 US disclosed
CN-102239211-A Rubber composition BRIDGESTONE CORP 2011-11-09 CN disclosed
US-20110196086-A1 RUBBER COMPOSITION BRIDGESTONE CORPORATION (JP) 2011-08-11 US disclosed
EP-2336233-A1 RUBBER COMPOSITION Bridgestone Corporation (JP) 2011-06-22 EP disclosed