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SCHEMBL21787819

SCHEMBL21787819

CC(=O)c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)c(C(C)c2cccc(C)c2)o1

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 18/20 0.84
▸ BRD2 P25440 1/20 0.67
▸ BRD3 Q15059 1/20 0.67
▸ BRDT Q58F21 1/20 0.67
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ TAS1R2 Q8TE23 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL21787734 0.91 BRD4 (1.00) BRD4BRD2BRD3BRDT
SCHEMBL24006912 0.91 BRD4 (1.00) BRD4BRD2BRD3BRDT
SCHEMBL21787815 0.84 BRD4 (0.83) BRD4BRD2BRD3BRDTNPC1
SCHEMBL21787870 0.81 BRD4 (1.00) BRD4BRD2BRD3BRDT
SCHEMBL21788066 0.81 BRD4 (1.00) BRD4BRD2BRD3BRDT
SCHEMBL21787725 0.81 BRD4 (1.00) BRD4BRD2BRD3BRDT
SCHEMBL24008060 0.80 BRD4 (1.00) BRD4BRD2BRD3BRDT
SCHEMBL21787869 0.80 BRD4 (1.00) BRD4BRD2BRD3BRDT
SCHEMBL24007723 0.80 BRD4 (1.00) BRD4BRD2BRD3BRDT
SCHEMBL21787798 0.80 BRD4 (1.00) BRD4BRD2BRD3BRDT

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
WO-2020043821-A1 FURAN DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2020-03-05 — — WO disclosed