SCHEMBL16229673

SCHEMBL16229673

CCCOC(=O)c1cc(/C=N/N=C/c2ccc(C)cc2)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 3/20 0.43
APP P05067 1/20 0.43
EGFR P00533 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGS2 P35354 2/20 0.42
POLB P06746 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL2608352 0.91 CA12 (0.50) L3MBTL1CA12CA1CA2CA7
SCHEMBL12557382 0.90 L3MBTL1 (0.47) L3MBTL1CA12CA1CA2CA7
SCHEMBL16229625 0.90 L3MBTL1 (0.47) L3MBTL1CA12CA1CA2CA7
SCHEMBL16199454 0.89 PTGS2 (0.56) L3MBTL1CA12CA1CA2CA7
SCHEMBL12590051 0.88 L3MBTL1 (0.47) L3MBTL1CA12CA1CA2CA7
SCHEMBL12557367 0.86 L3MBTL1 (0.43) L3MBTL1CA12CA1CA2CA7
SCHEMBL16199453 0.84 MEN1 (0.67) L3MBTL1KMT2AMEN1ALDH1A1RAB9A
SCHEMBL2608355 0.84 CA12 (0.46) L3MBTL1CA12CA1CA2CA7
SCHEMBL12590027 0.83 L3MBTL1 (0.43) L3MBTL1CA12CA1CA2CA7
SCHEMBL16229590 0.83 L3MBTL1 (0.41) L3MBTL1CA12CA1CA2CA7

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
US-8883271-B2 Polymerizable chiral compound, polymerizable liquid crystal compound, liquid crystal polymer and optically anisotropic body ZEON CORPORATION (JP) 2014-11-11 US disclosed