SCHEMBL11076517

SCHEMBL11076517

C=C(C)CN(CC(=C)C)C(=O)c1cccc(C(=O)N(CC(=C)C)CC(=C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.51
TDP1 Q9NUW8 2/20 0.51
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
EGFR P00533 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39

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
SCHEMBL11077650 0.86 EGFR (0.55) HPGDKMT2AMEN1EGFRL3MBTL1
SCHEMBL29172971 0.82 HPGD (0.77) HPGDTDP1KMT2AMEN1L3MBTL1
SCHEMBL29172972 0.78 HPGD (0.64) HPGDTDP1KMT2AMEN1EGFR
SCHEMBL7406512 0.78 HPGD (0.79) HPGDTDP1KMT2AMEN1L3MBTL1
SCHEMBL29173000 0.77 CTSS (0.58) HPGDKMT2AMEN1EGFRL3MBTL1
SCHEMBL2566192 0.76 HPGD (0.69) HPGDTDP1KMT2AMEN1ALDH1A1
SCHEMBL28497560 0.75 HDAC1 (0.54) HPGDKMT2AMEN1EGFRALDH1A1
SCHEMBL10739309 0.75 HPGD (0.54) HPGDTDP1KMT2AMEN1L3MBTL1
SCHEMBL28488895 0.75 ALDH1A1 (0.52) HPGDTDP1KMT2AMEN1L3MBTL1
SCHEMBL9361376 0.74 TP53 (0.60) HPGDTDP1KMT2AMEN1EGFR

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