SCHEMBL47895

SCHEMBL47895

CC(C)Cc1cc(=O)cc2oc3cc(OC(=O)O)ccc3nc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 11/20 0.42
CYP1A2 P05177 1/20 0.42
CD74 P04233 1/20 0.39
MIF P14174 1/20 0.39
KDM4E B2RXH2 3/20 0.38
GLA P06280 3/20 0.38
GAA P10253 2/20 0.38
POLB P06746 2/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SCP2 P22307 1/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL47894 0.93 APP (0.42) APPCYP1A2CD74MIFKDM4E
SCHEMBL3974521 0.70 APP (0.72) APPCYP1A2CD74MIFKDM4E
SCHEMBL1104934 0.68 APP (0.62) APPCYP1A2KDM4EGAAALDH1A1
SCHEMBL18932158 0.66 APP (0.74) APPCYP1A2KDM4EGAAALDH1A1
SCHEMBL21211676 0.65 APP (0.70) APPCYP1A2KDM4EGLAGAA
SCHEMBL24145151 0.65 APP (0.77) APPCYP1A2KDM4EGLAGAA
SCHEMBL17716521 0.65 APP (0.57) APPCYP1A2KDM4EGLAGAA
SCHEMBL3857668 0.65 GLA (0.55) APPCD74MIFKDM4EGLA
SCHEMBL5656896 0.64 KDM4E (0.49) APPKDM4EGLAGAAPOLB
SCHEMBL30898571 0.64 RAB9A (0.46) APPCYP1A2POLBSCP2KMT2A

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-2149586-B1 AMINE EPOXY RESIN CURING AGENT, GAS BARRIER EPOXY RESIN COMPOSITION COMPRISING THE CURING AGENT, COATING AGENT, AND ADHESIVE AGENT FOR LAMINATE MITSUBISHI GAS CHEMICAL CO (JP) 2018-01-03 EP disclosed
US-8128782-B2 Amine epoxy resin curing agent, gas barrier epoxy resin composition comprising the curing agent, coating agent, and adhesive agent for laminate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-03-06 US disclosed
US-20100160494-A1 AMINE EPOXY RESIN CURING AGENT, GAS BARRIER EPOXY RESIN COMPOSITION COMPRISING THE CURING AGENT, COATING AGENT, AND ADHESIVE AGENT FOR LAMINATE MITSUBISHI GAS CHEMICAL COMPANY INC. (JP) 2010-06-24 US disclosed
EP-2149586-A1 AMINE EPOXY RESIN CURING AGENT, GAS BARRIER EPOXY RESIN COMPOSITION COMPRISING THE CURING AGENT, COATING AGENT, AND ADHESIVE AGENT FOR LAMINATE Mitsubishi Gas Chemical Company, Inc. (JP) 2010-02-03 EP disclosed