SCHEMBL3458467

SCHEMBL3458467

CC(C)(C)c1ccc(O)c(O)c1.CC(C)(C)c1cccc(O)c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
ALOX15 P16050 4/20 0.66
TDP1 Q9NUW8 3/20 0.66
HSD17B10 Q99714 3/20 0.66
HPGD P15428 2/20 0.66
CA2 P00918 2/20 0.53
HDAC4 P56524 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 3/20 0.46
RECQL P46063 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
SIRT1 Q96EB6 1/20 0.44
CYP2D6 P10635 2/20 0.40

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
SCHEMBL28149028 0.93 ALDH1A1 (0.70) ALDH1A1ALOX15TDP1HSD17B10HPGD
SCHEMBL9629444 0.84 ALDH1A1 (0.51) ALDH1A1ALOX15TDP1HSD17B10HPGD
Catechol SCHEMBL6791917 0.83 CA2 (0.70) ALDH1A1ALOX15TDP1HSD17B10HPGD
SCHEMBL30504750 0.83 CA2 (0.76) ALDH1A1ALOX15TDP1HSD17B10HPGD
SCHEMBL36109 0.83 CA2 (0.76) ALDH1A1ALOX15TDP1HSD17B10HPGD
SCHEMBL21670397 0.82 LMNA (0.59) ALDH1A1ALOX15TDP1HSD17B10HPGD
SCHEMBL7047564 0.82 CA2 (0.63) ALDH1A1ALOX15TDP1HSD17B10HPGD
SCHEMBL11041243 0.82 ALDH1A1 (0.70) ALDH1A1ALOX15TDP1HSD17B10HPGD
Methyl Alcohol SCHEMBL28510467 0.81 CA2 (0.73) ALDH1A1ALOX15TDP1HSD17B10HPGD
Ammonia Solution, Strong SCHEMBL30638319 0.81 CA2 (0.73) ALDH1A1ALOX15TDP1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107521-A1 ADHESIVE BONDING COMPOSITION AND USE THEREOF 3M Innovative Properties Company (US) 2016-12-28 EP disclosed
WO-2015126865-A1 ADHESIVE BONDING COMPOSITION AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-08-27 WO disclosed
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