SCHEMBL3451975

SCHEMBL3451975

Oc1ccc2cc(O)ccc2c1.Oc1ccc2ccc(O)cc2c1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.78
ESR2 Q92731 13/20 0.67
ESR1 P03372 12/20 0.67
CYP3A4 P08684 2/20 0.62
ALOX15 P16050 1/20 0.62
TSHR P16473 1/20 0.62
HIF1A Q16665 1/20 0.62
HSD17B10 Q99714 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
ABL1 P00519 1/20 0.56
ABCB1 P08183 1/20 0.56
BCR P11274 1/20 0.56
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
HSD17B1 P14061 1/20 0.54
CYP2B6 P20813 1/20 0.54
CYP2C19 P33261 1/20 0.54
HSD17B2 P37059 1/20 0.54
F12 P00748 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
SCHEMBL29358095 0.97 CYP1A2 (0.72) CYP1A2ESR2ESR1CYP3A4ALOX15
SCHEMBL17311956 0.97 CYP1A2 (0.72) CYP1A2ESR2ESR1CYP3A4ALOX15
SCHEMBL29711 0.97 CYP1A2 (0.72) CYP1A2ESR2ESR1CYP3A4ALOX15
SCHEMBL29405718 0.93 CYP1A2 (0.68) CYP1A2ESR2ESR1CYP3A4ALOX15
SCHEMBL10719214 0.93 CYP1A2 (0.68) CYP1A2ESR2ESR1CYP3A4ALOX15
SCHEMBL392290 0.93 CYP1A2 (0.68) CYP1A2ESR2ESR1CYP3A4ALOX15
SCHEMBL29973107 0.93 CYP1A2 (0.68) CYP1A2ESR2ESR1CYP3A4ALOX15
SCHEMBL755928 0.93 CYP1A2 (0.68) CYP1A2ESR2ESR1CYP3A4ALOX15
Potassium SCHEMBL10719229 0.93 CYP1A2 (0.68) CYP1A2ESR2ESR1CYP3A4ALOX15
SCHEMBL69484 0.93 CYP1A2 (0.77) CYP1A2ESR2ESR1CYP3A4ALOX15

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
US-8481445-B2 Magnesium dichloride-alcohol adducts and catalyst components obtained therefrom BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2013-07-09 US claimed
US-7820772-B2 comprises an amine adduct and a low-molecular amine compound 2-methylimidazole; bisphenol A type epoxy resin reacted with 2-methylimidazole as the amine adduct; excellent hardening property at low temperature, and storage stability at low and high temperature; adhesives; sealant ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-10-26 US disclosed
US-20070244268-A1 Hardener for Epoxy Resin and Epoxy Resin Composition ASAHI KASEI CHEMICALS CORPORATION (JP) 2007-10-18 US disclosed
EP-1731545-A1 HARDENER FOR EPOXY RESIN AND EPOXY RESIN COMPOSITION Asahi Kasei Chemicals Corporation (JP) 2006-12-13 EP disclosed