SCHEMBL47898

SCHEMBL47898

CC(C)(C)c1ccc2cccc(OC(=O)Oc3cccc4ccc(C(C)(C)C)nc34)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALOX5 P09917 1/20 0.41
LMNA P02545 4/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL47899 0.89 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19ALOX5
SCHEMBL23343381 0.80 MCHR1 (0.42) MCHR1
SCHEMBL19418319 0.79 MCHR1 (0.41) CA1CA2MCHR1
SCHEMBL1877169 0.73 METAP2 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL1507739 0.73 KMT2A (0.50) CYP1A2CYP3A4CYP2C9CYP2C19ALOX5
Lithium SCHEMBL17924031 0.71 METAP2 (0.56) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL16586212 0.71 METAP2 (0.56) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL28459061 0.71 LMNA (0.69) LMNAMETAP2METAP1HDAC6ALDH1A1
SCHEMBL4585013 0.71 CCR1 (0.43) CYP3A4LMNAALDH1A1SMN1; SMN2TP53
SCHEMBL19542557 0.71 AR (0.41) CYP1A2LMNAMETAP2ALDH1A1SMN1; SMN2

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