SCHEMBL47894

SCHEMBL47894

CC(C)Cc1cc(=O)cc2oc3cc(OC(=O)Oc4ccc5nc6c(CC(C)C)cc(=O)cc-6oc5c4)ccc3nc1-2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 13/20 0.42
CYP1A2 P05177 1/20 0.42
CD74 P04233 1/20 0.36
MIF P14174 1/20 0.36
KDM4E B2RXH2 3/20 0.36
GLA P06280 3/20 0.36
GAA P10253 3/20 0.36
CA12 O43570 1/20 0.36
POLB P06746 1/20 0.36
CA9 Q16790 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SCP2 P22307 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL47895 0.93 APP (0.42) APPCYP1A2CD74MIFKDM4E
SCHEMBL27267926 0.73 APP (0.61) APPCYP1A2CA2
SCHEMBL1104934 0.69 APP (0.62) APPCYP1A2KDM4EGAAALDH1A1
SCHEMBL3974521 0.69 APP (0.72) APPCYP1A2CD74MIFKDM4E
SCHEMBL18932158 0.67 APP (0.74) APPCYP1A2KDM4EGAAALDH1A1
SCHEMBL21211676 0.66 APP (0.70) APPCYP1A2KDM4EGLAGAA
SCHEMBL17716521 0.65 APP (0.57) APPCYP1A2KDM4EGLAGAA
SCHEMBL30898571 0.65 RAB9A (0.46) APPCYP1A2POLBSCP2
SCHEMBL27310713 0.65 RAB9A (0.46) APPCYP1A2POLBSCP2
SCHEMBL9819970 0.65 MEN1 (0.42) KDM4EPOLBTDP1ALDH1A1HSD17B10

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