SCHEMBL8813329

SCHEMBL8813329

C=CCc1cc(=O)oc2cc(N(CC=C)CC=C)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGLV6-57 P01721 5/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ GLA P06280 4/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46

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
SCHEMBL15582476 0.88 IGLV6-57 (0.47) IGLV6-57ALDH1A1GLAL3MBTL1CYP3A4
SCHEMBL16296942 0.83 ALDH1A1 (0.49) IGLV6-57ALDH1A1GLAL3MBTL1CYP3A4
SCHEMBL1752667 0.82 ALDH1A1 (0.70) IGLV6-57ALDH1A1GLAL3MBTL1CYP3A4
SCHEMBL3950391 0.82 ALDH1A1 (0.68) IGLV6-57ALDH1A1GLAL3MBTL1CYP3A4
SCHEMBL16985193 0.80 ALDH1A1 (0.43) IGLV6-57ALDH1A1GLAL3MBTL1CYP3A4
SCHEMBL462461 0.79 KDM4E (0.65) ALDH1A1GLAL3MBTL1CYP3A4HPGD
SCHEMBL739294 0.77 HSD17B3 (0.68) ALDH1A1GLAHPGDCASP1CASP7
SCHEMBL8816690 0.77 ALDH1A1 (0.54) ALDH1A1GLAL3MBTL1HPGDCASP1
SCHEMBL3799324 0.75 CA12 (0.57) ALDH1A1CYP3A4HPGDHSD17B10MEN1
SCHEMBL27473166 0.75 IGLV6-57 (0.48) IGLV6-57ALDH1A1GLAL3MBTL1CYP3A4

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-5696157-A Sulfonated derivatives of 7-aminocoumarin MOLECULAR PROBES, INC. (US) 1997-12-09 — — US disclosed
US-4894314-A FOR POLYMERIZATION BY EXPOSURE TO VISIBLE LASER LIGHT MORTON THIOKOL, INC. (US) 1990-01-16 — — US disclosed
EP-0268429-A2 Photoinitiator composition MORTON INTERNATIONAL, INC. (US) 1988-05-25 — — EP disclosed
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