SCHEMBL9468917

SCHEMBL9468917

O=C(c1ccc(Cl)cc1)c1cccc(O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.64
HSD17B1 P14061 5/20 0.64
HSD17B2 P37059 5/20 0.64
CLK1 P49759 1/20 0.62
DYRK1A Q13627 1/20 0.62
DYRK1B Q9Y463 1/20 0.62
FASN P49327 1/20 0.59
ESR1 P03372 1/20 0.58
ESR2 Q92731 1/20 0.58
SRD5A2 P31213 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA6 P23280 1/20 0.53
CA9 Q16790 1/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
ATM Q13315 1/20 0.52

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
SCHEMBL809735 0.88 ATM (0.67) MAPK1HSD17B1HSD17B2SRD5A2ATM
SCHEMBL11392123 0.86 TSHR (0.61) HSD17B1HSD17B2CLK1DYRK1ADYRK1B
SCHEMBL189236 0.86 CLK1 (0.75) MAPK1HSD17B1HSD17B2CLK1DYRK1A
SCHEMBL27735439 0.86 CLK1 (0.75) MAPK1HSD17B1HSD17B2CLK1DYRK1A
SCHEMBL809540 0.85 FASN (0.76) HSD17B1HSD17B2CLK1DYRK1ADYRK1B
SCHEMBL29699163 0.85 FASN (0.76) HSD17B1HSD17B2CLK1DYRK1ADYRK1B
SCHEMBL3177794 0.84 PARP1 (0.59) MAPK1SRD5A2ATMTDP1L3MBTL1
SCHEMBL144795 0.84 ATM (0.74) HSD17B1HSD17B2CLK1DYRK1ADYRK1B
SCHEMBL22717015 0.82 MEN1 (0.70) HSD17B1HSD17B2CLK1DYRK1ADYRK1B
SCHEMBL9229699 0.82 CA12 (0.73) HSD17B1HSD17B2CLK1DYRK1ADYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013116605-A1 COMPOSITIONS FOR THE TREATMENT OF TUBERCULOSIS AND METHODS OF USING SAME UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-08-08 WO disclosed
US-5264538-A Cyclic poly(aryl ether) oligomers THE DOW CHEMICAL COMPANY (US) 1993-11-23 US disclosed
US-5264520-A Polymerization of cyclic poly(aryl ether) oligomers THE DOW CHEMICAL COMPANY (US) 1993-11-23 US disclosed
EP-0413257-A2 Cyclic poly(aryl ether) oligomers, a process for preparation thereof, and polymerization of cyclic poly (aryl ether) oligomers THE DOW CHEMICAL COMPANY (US) 1991-02-20 EP disclosed
US-4287209-A USEFUL AS METABOLIC REGULATORS, AND HERBICIDES SOCIETE DE RECHERCHES INDUSTRIELLES (S.O.R.I.) (FR) 1981-09-01 US disclosed
US-4146385-A METABOLIC REGULATORS, CARDIOVASCULAR AGENTS, HERBICIDES SOCIETE DE RECHERCHES INDUSTRIELLES S.O.R.I. (FR) 1979-03-27 US disclosed