SCHEMBL11070930

SCHEMBL11070930

CC(C)OC(=O)C(=CC#N)c1ccc(C(=CC#N)C(=O)OC(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 1/20 0.43
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA7 P43166 4/20 0.42
CA9 Q16790 4/20 0.42
CA14 Q9ULX7 4/20 0.42
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
PDE4D Q08499 3/20 0.37
ADRA1A P35348 1/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37

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
SCHEMBL21348194 0.73 TSHR (0.41) HPGDALDH1A1MAPTPDE4DADRA1A
SCHEMBL27074465 0.73 TSHR (0.41) HPGDALDH1A1MAPTPDE4DADRA1A
SCHEMBL27934937 0.73 KMT2A (0.61) KMT2AMEN1HPGDCA12CA1
SCHEMBL27705868 0.72 ALDH1A1 (0.44) KMT2AMEN1HPGDCA12CA1
SCHEMBL11457449 0.72 MEN1 (0.45) KMT2AMEN1HPGDCA12CA1
SCHEMBL17787001 0.71 SMN1; SMN2 (0.46) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL17793352 0.71 SMN1; SMN2 (0.46) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL9714889 0.70 ALDH1A1 (0.33) HPGDALDH1A1MAPTPDE4DADRA1A
SCHEMBL11275265 0.70 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL11275268 0.70 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2

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-4480020-A Polymeric photoconductive sensitized by bis(β-cyano-β-alkoxycarbonylvinyl)benzene FUJI PHOTO FILM CO., LTD. (JP) 1984-10-30 US disclosed