SCHEMBL14408374

SCHEMBL14408374

CCCCN(CC)c1ccc2c(c1)oc(=O)c1c3ncccc3c(=O)oc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.52
▸ ATM Q13315 6/20 0.52
▸ HTT P42858 5/20 0.52
▸ CASP1 P29466 5/20 0.52
▸ CASP7 P55210 5/20 0.52
▸ HSD17B10 Q99714 5/20 0.52
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ HPGD P15428 5/20 0.52
▸ TDP1 Q9NUW8 4/20 0.52
▸ NPSR1 Q6W5P4 3/20 0.52
▸ TP53 P04637 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ ESR1 P03372 1/20 0.52
▸ BRCA1 P38398 1/20 0.52
▸ HKDC1 Q2TB90 1/20 0.52
▸ SRC P12931 2/20 0.44
▸ IGLV6-57 P01721 5/20 0.43
▸ KDM4E B2RXH2 7/20 0.42
▸ GLA P06280 6/20 0.42

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
SCHEMBL24862103 0.69 ALDH1A1 (0.60) ALDH1A1ATMHTTCASP1CASP7
SCHEMBL12651743 0.69 ALDH1A1 (1.00) ALDH1A1ATMHTTCASP1CASP7
SCHEMBL3892034 0.68 ALDH1A1 (0.48) ALDH1A1ATMHTTCASP1CASP7
SCHEMBL14415886 0.68 ALDH1A1 (0.67) ALDH1A1ATMHTTCASP1CASP7
SCHEMBL10098672 0.66 ALDH1A1 (0.59) ALDH1A1ATMHTTCASP1CASP7
SCHEMBL30025646 0.66 ALDH1A1 (0.59) ALDH1A1ATMHTTCASP1CASP7
SCHEMBL13869646 0.65 CYP19A1 (0.70) ALDH1A1ATMHTTCASP1CASP7
SCHEMBL21456974 0.65 ALDH1A1 (0.56) ALDH1A1ATMHTTCASP1CASP7
SCHEMBL13869383 0.65 CYP19A1 (0.65) ALDH1A1ATMHTTCASP1CASP7
SCHEMBL21457073 0.64 ALDH1A1 (0.55) ALDH1A1ATMHTTCASP1CASP7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7270938-B2 Photopolymerizable composition, light sensitive planographic printing plate material and manufacturing method of planographic printing plate KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-09-18 — — US disclosed
US-7270938-B2 Photopolymerizable composition, light sensitive planographic printing plate material and manufacturing method of planographic printing plate KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-09-18 — — US disclosed
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