SCHEMBL9718282

SCHEMBL9718282

O=C(c1ccccc1)c1ccc(C(=O)c2ccccc2)c(Oc2ccc(Oc3ccccc3)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
SRD5A2 P31213 6/20 0.60
MAPK1 P28482 2/20 0.54
MAPT P10636 1/20 0.54
BCL2 P10415 3/20 0.50
MCL1 Q07820 3/20 0.50
ELANE P08246 1/20 0.49
PARP10 Q53GL7 1/20 0.49
BAD Q92934 1/20 0.48
HPSE Q9Y251 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
PGR P06401 1/20 0.48
CYP2D6 P10635 1/20 0.48
HPGD P15428 1/20 0.48
SLC6A2 P23975 1/20 0.48
PDE4A P27815 1/20 0.48
CYP2C19 P33261 1/20 0.48
HRH1 P35367 1/20 0.48

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
SCHEMBL28891562 0.90 POLB (0.55) POLBSRD5A2MAPK1MAPTELANE
SCHEMBL7841315 0.88 SRD5A2 (0.60) POLBSRD5A2MAPK1MAPTELANE
SCHEMBL10880512 0.84 POLB (0.46) POLBSRD5A2MAPK1MAPTPARP10
SCHEMBL10448654 0.83 SRD5A2 (0.62) POLBSRD5A2BCL2MCL1ELANE
SCHEMBL9419499 0.83 SRD5A2 (0.58) POLBSRD5A2MAPK1MAPTELANE
SCHEMBL1081660 0.83 SRD5A2 (0.72) POLBSRD5A2MAPK1ELANEPARP10
SCHEMBL26624065 0.83 SRD5A2 (0.72) POLBSRD5A2MAPK1ELANEPARP10
SCHEMBL10593556 0.83 SRD5A2 (0.72) POLBSRD5A2MAPK1ELANEPARP10
SCHEMBL234249 0.83 SRD5A2 (0.84) POLBSRD5A2ELANEPARP10ALDH1A1
SCHEMBL1069817 0.83 SRD5A2 (0.84) POLBSRD5A2ELANEPARP10ALDH1A1

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-0463058-A1 PROCESS FOR THE MANUFACTURE OF 1,4-BIS(4-PHENOXYBENZOYL)BENZENE WITH CERTAIN METAL-CONTAINING CATALYSTS. DU PONT (US) 1992-01-02 EP disclosed
WO-1990010613-A1 PROCESS FOR THE MANUFACTURE OF 1,4-BIS(4-PHENOXYBENZOYL)BENZENE WITH CERTAIN METAL-CONTAINING CATALYSTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-09-20 WO disclosed