SCHEMBL47841

SCHEMBL47841

Cc1cc(COC(=O)O)cc(C)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.46
CYP3A4 P08684 1/20 0.45
CHRM1 P11229 1/20 0.45
ALOX15 P16050 1/20 0.45
MAOA P21397 1/20 0.45
TBXA2R P21731 1/20 0.45
ADRA1A P35348 1/20 0.45
HTR2B P41595 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
OGG1 O15527 1/20 0.40
BCL2L1 Q07817 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.37
S1PR4 O95977 1/20 0.37
POLB P06746 1/20 0.37
NOD2 Q9HC29 1/20 0.37

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
SCHEMBL47840 0.86 CYP3A4 (0.46) MCL1CYP3A4CHRM1ALOX15MAOA
SCHEMBL8514642 0.74 CYP3A4 (0.50) MCL1CYP3A4CHRM1ALOX15MAOA
SCHEMBL28889848 0.71 L3MBTL1 (0.46) CYP3A4MEN1KMT2AHPGDL3MBTL1
SCHEMBL2164814 0.71 MCL1 (0.43) MCL1CYP3A4CHRM1ALOX15MAOA
SCHEMBL5369370 0.69 ALDH1A1 (0.50) L3MBTL1ALDH1A1LMNA
SCHEMBL1791164 0.69 IDO1 (0.50) ALDH1A1
SCHEMBL8197936 0.69 ALDH1A1 (0.54) CYP3A4MAOAMEN1KMT2AL3MBTL1
SCHEMBL11629539 0.69 MEN1 (0.56) MEN1KMT2AALDH1A1TSHR
Hydrochloric Acid SCHEMBL29230323 0.69 L3MBTL1 (0.45) MEN1KMT2AL3MBTL1ALDH1A1POLB
SCHEMBL1789188 0.69 GABRA1 (0.45) MEN1KMT2AL3MBTL1ALDH1A1

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