SCHEMBL20876255

SCHEMBL20876255

CNC(=O)c1cc(C(=O)OC)cc(C[C@H](O)c2ccccc2)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.43
PPARG P37231 3/20 0.43
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
ACLY P53396 1/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BRD4 O60885 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL29474321 0.78 ACLY (0.41) PPARAPPARGLMNAHPGDACLY
SCHEMBL20887339 0.78 ACLY (0.41) PPARAPPARGLMNAHPGDACLY
SCHEMBL20876254 0.77 TYR (0.47) PPARAPPARGLMNAHPGDACLY
SCHEMBL20876261 0.73 TSHR (0.47) LMNAHPGDACLYTSHRALDH1A1
SCHEMBL20876262 0.70 CYP1A2 (0.45) LMNAHPGDACLYTSHRKDM4E
SCHEMBL24592969 0.70 KDM4E (0.50) PPARALMNAHPGDALDH1A1KDM4E
SCHEMBL5206673 0.69 HIF1A (0.51) LMNATSHRKDM4ERAB9ABRD4
SCHEMBL20876266 0.69 KDM4E (0.49) LMNAHPGDACLYALDH1A1KDM4E
SCHEMBL1428309 0.69 CA1 (0.56) HPGDTSHRALDH1A1KDM4EHSD17B10
SCHEMBL22407167 0.67 BRD4 (0.42) ACLYBRD4

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
EP-3692026-A1 BENZOFURAN DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2020-08-12 EP disclosed
WO-2019068783-A1 BENZOFURAN DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2019-04-11 WO disclosed