SCHEMBL14756302

SCHEMBL14756302

Cc1cc(=O)oc2c(O)c(OC(C)C)ccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.72
KDM4E B2RXH2 9/20 0.61
ALDH1A1 P00352 5/20 0.61
GAA P10253 5/20 0.61
LMNA P02545 2/20 0.61
MAPK1 P28482 2/20 0.61
MAPT P10636 2/20 0.61
MGAM O43451 1/20 0.61
TP53 P04637 1/20 0.61
CYP3A4 P08684 1/20 0.61
SI P14410 1/20 0.61
ALOX15 P16050 1/20 0.61
MGAM2 Q2M2H8 1/20 0.61
HSD17B10 Q99714 7/20 0.55
HPGD P15428 4/20 0.55
TSHR P16473 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAOB P27338 2/20 0.54
KMT2A Q03164 3/20 0.53
GLA P06280 3/20 0.53

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
SCHEMBL15984891 0.84 MCL1 (1.00) MCL1KDM4EALDH1A1GAALMNA
SCHEMBL14756050 0.80 MAOA (0.72) MCL1KDM4EALDH1A1GAALMNA
4-Methyldaphnetin SCHEMBL29671915 0.77 MCL1 (1.00) MCL1KDM4EALDH1A1GAALMNA
4-Methyldaphnetin SCHEMBL1065373 0.77 MCL1 (1.00) MCL1KDM4EALDH1A1GAALMNA
SCHEMBL8877576 0.75 MCL1 (0.64) MCL1KDM4EALDH1A1GAALMNA
SCHEMBL15984892 0.73 KDM4E (0.74) MCL1KDM4EALDH1A1GAALMNA
SCHEMBL12858955 0.72 MAOB (0.67) MCL1KDM4EALDH1A1GAALMNA
SCHEMBL9463878 0.71 ALDH1A1 (1.00) MCL1KDM4EALDH1A1GAALMNA
SCHEMBL6904917 0.70 KDM4E (0.67) MCL1KDM4EALDH1A1GAALMNA
SCHEMBL14756756 0.70 KDM4E (0.58) MCL1KDM4EALDH1A1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015081284-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2015-06-04 WO disclosed
WO-2015081280-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION COFERON, INC. (US) 2015-06-04 WO disclosed
WO-2013033270-A2 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 WO disclosed
WO-2013033268-A2 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 WO disclosed