SCHEMBL4331650

SCHEMBL4331650

Cc1ccc(N=C=O)c(C(C)C)c1C

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
TRPA1 O75762 1/20 0.46
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL112207 0.84 CYP3A4 (0.46) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL29606267 0.78 CYP3A4 (0.61) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL11608345 0.78 CYP3A4 (0.61) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL28151572 0.78 CYP3A4 (0.57) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL11785534 0.76 CYP3A4 (0.59) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL8751827 0.76 CYP3A4 (0.39) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL29930513 0.75 CYP3A4 (0.52) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL110656 0.75 CYP3A4 (0.52) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL580427 0.73 CYP3A4 (0.37) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL159676 0.73 CYP3A4 (0.37) CYP3A4TRPA1ALDH1A1HPGDTDP1

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
US-20090281206-A1 COPOLYMER POLYOLS AND A PROCESS FOR THE PRODUCTION THEREOF DOW GLOBAL TECHNOLOGIES INC. (US) 2009-11-12 US disclosed
EP-2041198-A1 COPOLYMER POLYOLS AND A PROCESS FOR THE PRODUCTION THEREOF Dow Global Technologies Inc. (US) 2009-04-01 EP disclosed
WO-2008005708-A1 COPOLYMER POLYOLS AND A PROCESS FOR THE PRODUCTION THEREOF DOW GLOBAL TECHNOLOGIES INC. (US) 2008-01-10 WO disclosed