SCHEMBL28056027

SCHEMBL28056027

O=C(O)c1ccc(CCC2CCCC2)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPM1D O15297 2/20 0.47
▸ CEL P19835 2/20 0.42
▸ KDM4C Q9H3R0 2/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMO O15229 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ BRS3 P32247 1/20 0.38
▸ ACLY P53396 1/20 0.38
▸ TBK1 Q9UHD2 3/20 0.38

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
SCHEMBL28056103 0.97 PPM1D (0.44) PPM1DCELKDM4CKMT2AKDM4E
SCHEMBL28056149 0.94 PPM1D (0.41) PPM1DCELKDM4CKMT2AKDM4E
SCHEMBL2361733 0.88 PPM1D (0.52) PPM1DCELKDM4CKMT2AKDM4E
SCHEMBL28048040 0.84 PPM1D (0.48) PPM1DCELKDM4CKMT2AKDM4E
SCHEMBL27741282 0.83 PPM1D (0.50) PPM1DCELKDM4CKMT2AKDM4E
SCHEMBL28105519 0.81 PPM1D (0.45) PPM1DKMT2AKDM4EHSD17B10GAA
SCHEMBL19348159 0.80 FOLH1 (0.59) KMT2ABRS3ACLY
SCHEMBL28047118 0.78 KDM4E (0.42) PPM1DKMT2AKDM4EGAAMEN1
SCHEMBL29446092 0.76 PPM1D (0.49) PPM1DKMT2AKDM4EHSD17B10GAA
Cyclopropane SCHEMBL28174238 0.76 RXRA (0.48) KDM4EHPGDGAA

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
CN-105407888-A Novel bicyclic bromodomain inhibitors ZENITH EPIGENETICS CORP 2016-03-16 — — CN claimed
CN-105407888-A Novel bicyclic bromodomain inhibitors ZENITH EPIGENETICS CORP 2016-03-16 — — CN disclosed
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