SCHEMBL26079993

SCHEMBL26079993

COc1cc(OC)c2c(=O)cc(-c3cc(C)c(OC)c(C)c3)oc2c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.80
BRD4 O60885 6/20 0.76
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
KDM4E B2RXH2 4/20 0.67
ALDH1A1 P00352 3/20 0.67
ABCG2 Q9UNQ0 3/20 0.67
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
BRD2 P25440 4/20 0.59
BRD3 Q15059 4/20 0.59
BRDT Q58F21 4/20 0.59
PPARG P37231 1/20 0.59
MAPT P10636 2/20 0.56
TP53 P04637 2/20 0.56
CYP3A4 P08684 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56

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
SCHEMBL1422009 0.89 ABCB1 (1.00) ABCB1BRD4MEN1KMT2AKDM4E
SCHEMBL29465904 0.89 ABCB1 (1.00) ABCB1BRD4MEN1KMT2AKDM4E
SCHEMBL20271922 0.88 BRD4 (0.71) ABCB1BRD4MEN1KMT2AKDM4E
SCHEMBL4165061 0.87 ABCB1 (0.81) ABCB1BRD4MEN1KMT2AKDM4E
SCHEMBL20271941 0.87 BRD4 (1.00) ABCB1BRD4MEN1KMT2AKDM4E
SCHEMBL30599697 0.87 BRD4 (1.00) ABCB1BRD4MEN1KMT2AKDM4E
SCHEMBL20270787 0.85 BRD4 (0.73) ABCB1BRD4MEN1KMT2AKDM4E
SCHEMBL20271547 0.84 BRD4 (0.72) ABCB1BRD4MEN1KMT2AKDM4E
SCHEMBL20271549 0.84 BRD4 (0.72) ABCB1BRD4MEN1KMT2AKDM4E
SCHEMBL16894639 0.83 ABCB1 (0.83) ABCB1BRD4MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3554503-B1 INHIBITORS OF BROMODOMAIN-CONTAINING PROTEIN 4 (BRD4) UNIV TEXAS (US) 2023-10-04 EP disclosed