SCHEMBL11077650

SCHEMBL11077650

C=C(C)CN(CC(=C)C)C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
MAPT P10636 1/20 0.50
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CTSS P25774 2/20 0.46
CTSK P43235 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
CTSL P07711 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL29172972 0.91 HPGD (0.64) EGFRALDH1A1HPGDMAPTKMT2A
SCHEMBL29173000 0.89 CTSS (0.58) EGFRALDH1A1HPGDKMT2AMEN1
SCHEMBL28497560 0.88 HDAC1 (0.54) EGFRALDH1A1HPGDMAPTKMT2A
SCHEMBL11076517 0.86 HPGD (0.51) EGFRALDH1A1HPGDKMT2AMEN1
SCHEMBL9473823 0.86 EGFR (0.46) EGFRALDH1A1HPGDMAPTKMT2A
SCHEMBL7573934 0.86 HPGD (0.56) EGFRALDH1A1HPGDMAPTKMT2A
SCHEMBL28364943 0.85 EGFR (0.56) EGFRALDH1A1HPGDMAPTKMT2A
SCHEMBL4182248 0.84 CASR (0.43) EGFRALDH1A1HPGDMAPTKMT2A
SCHEMBL11188824 0.83 AKR1C3 (0.50) EGFRALDH1A1HPGDMAPTKMT2A
SCHEMBL28498818 0.82 ADRA2C (0.53) EGFRALDH1A1HPGDKMT2AMEN1

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-4438151-A ADDITION COPOLYMERIZATION ON SURFACE TEIJIN LIMITED (JP) 1984-03-20 US claimed
US-4438151-A ADDITION COPOLYMERIZATION ON SURFACE TEIJIN LIMITED (JP) 1984-03-20 US disclosed
US-4407848-A PROTECTIVE COATING OF COPOLYMER OF DIALLYL PHTHALATE AND POLYOXYETHYLENE GLYCOL ACRYLIC ESTER TEIJIN LIMITED (JP) 1983-10-04 US disclosed