SCHEMBL4383759

SCHEMBL4383759

Cc1cc(=O)oc2cc3c(cc12)C(C)CC(C)N3C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.47
ALDH1A1 P00352 9/20 0.47
HPGD P15428 8/20 0.47
HSD17B10 Q99714 8/20 0.47
MCL1 Q07820 4/20 0.47
AKR1B1 P15121 2/20 0.47
CYP3A4 P08684 1/20 0.47
THRB P10828 1/20 0.47
GAA P10253 5/20 0.43
TSHR P16473 1/20 0.43
GLA P06280 4/20 0.41
CASP1 P29466 4/20 0.41
CASP7 P55210 4/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
LMNA P02545 2/20 0.41
MAOB P27338 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
UGT1A1 P22309 1/20 0.41

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
SCHEMBL12388121 0.72 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL21841899 0.72 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL21841863 0.68 ALDH1A1 (0.45) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL11029928 0.67 ALDH2 (0.52) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL9464133 0.66 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10MCL1
4,6,7-Trimethyl-2H-Chromen-2-One SCHEMBL19049403 0.66 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10MCL1
4-Methylesculetin SCHEMBL29361762 0.65 MCL1 (1.00) KDM4EALDH1A1HPGDHSD17B10MCL1
4-Methylesculetin SCHEMBL409482 0.65 MCL1 (1.00) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL24865598 0.64 ALDH1A1 (0.82) KDM4EALDH1A1HPGDHSD17B10MCL1
4-Methylesculetin SCHEMBL6839210 0.64 MCL1 (0.96) KDM4EALDH1A1HPGDHSD17B10MCL1

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-7629400-B2 Image making medium HYMAN SYDNEY 2009-12-08 US disclosed
US-20030035917-A1 Image making medium HYMAN SYDNEY (US) 2003-02-20 US disclosed