SCHEMBL6616664

SCHEMBL6616664

COc1ccccc1C(=O)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.69
RAB9A P51151 2/20 0.69
ALDH1A1 P00352 1/20 0.69
STS P08842 1/20 0.63
NPC1 O15118 3/20 0.60
KDM4E B2RXH2 3/20 0.60
HSD17B10 Q99714 2/20 0.60
ALOX15 P16050 1/20 0.60
MAPK1 P28482 1/20 0.60
ATM Q13315 1/20 0.59
LMNA P02545 5/20 0.58
HPGD P15428 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
CYP3A4 P08684 1/20 0.58
RECQL P46063 1/20 0.58
ELANE P08246 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
TP53 P04637 1/20 0.57

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
Benzophenone SCHEMBL11416830 0.98 MAPT (0.67) MAPTRAB9AALDH1A1STSNPC1
SCHEMBL29573531 0.96 MAPT (0.64) MAPTRAB9AALDH1A1STSNPC1
SCHEMBL50229 0.96 MAPT (0.64) MAPTRAB9AALDH1A1STSNPC1
Bicarbonate SCHEMBL27740092 0.94 MAPT (0.62) MAPTRAB9AALDH1A1STSNPC1
Water SCHEMBL2857055 0.93 MAPT (0.60) MAPTRAB9AALDH1A1STSNPC1
SCHEMBL8439039 0.91 ALDH1A1 (0.64) MAPTRAB9AALDH1A1STSNPC1
Methylene Chloride SCHEMBL28311944 0.89 NPC1 (0.61) MAPTRAB9AALDH1A1STSNPC1
Acetophenone SCHEMBL12002632 0.89 MAPT (0.57) MAPTRAB9AALDH1A1STSNPC1
SCHEMBL3484026 0.89 RAB9A (0.66) MAPTRAB9AALDH1A1STSNPC1
SCHEMBL29291422 0.88 TP53 (0.64) MAPTRAB9AALDH1A1STSNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165649-B1 MANUFACTURE OF POLYKETONES DU PONT (US) 2004-05-12 EP disclosed
US-6538098-B1 Polymerizing aromatic carboxylic acid and aromatic compound using carboxylic acid and phosphoric acid catalyst E. I. DU PONT DE NEMOURS AND COMPANY 2003-03-25 US disclosed
EP-1165649-A1 MANUFACTURE OF POLYKETONES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2002-01-02 EP disclosed
WO-2000052075-A1 MANUFACTURE OF POLYKETONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-09-08 WO disclosed