SCHEMBL7052098

SCHEMBL7052098

COc1ccc(C=O)c2cc(CC(C)(C)C)oc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.50
PDE4B Q07343 2/20 0.50
PDE4C Q08493 2/20 0.50
PDE4D Q08499 2/20 0.50
ALDH1A1 P00352 6/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 3/20 0.37
TSHR P16473 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 2/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
PRKDC P78527 1/20 0.34
FDPS P14324 1/20 0.34
ERN1 O75460 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34
MCL1 Q07820 1/20 0.33

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
SCHEMBL7363046 0.86 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5722834 0.82 ALDH1A1 (0.39) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5723421 0.81 KDM4E (0.44) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5722780 0.81 GPR55 (0.43) ALDH1A1KDM4EHPGDNPC1POLB
SCHEMBL7050225 0.78 PDE4D (0.62) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL73726 0.78 ALDH1A1 (0.45) ALDH1A1L3MBTL1KDM4ETSHRTDP1
SCHEMBL7055266 0.77 PDE4D (0.64) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL6950787 0.75 ALDH1A1 (0.42) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5722750 0.73 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6837533 0.73 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901482-B1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-05-02 EP disclosed
EP-0901482-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 1999-03-17 EP disclosed
WO-1997044337-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1997-11-27 WO disclosed