SCHEMBL6544568

SCHEMBL6544568

COc1c(O)c(O)cc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.63
TRPM4 Q8TD43 1/20 0.50
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 3/20 0.45
PKM P14618 2/20 0.45
RECQL P46063 2/20 0.45
BLM P54132 2/20 0.45
POLB P06746 2/20 0.45
ABL1 P00519 1/20 0.45
GAA P10253 1/20 0.45
APEX1 P27695 1/20 0.45
CDK5 Q00535 1/20 0.45
MCL1 Q07820 1/20 0.45
RIN1 Q13671 1/20 0.45
CDK5R1 Q15078 1/20 0.45

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
SCHEMBL28250998 0.85 ERN1 (0.54) ERN1TRPM4KDM4EALDH1A1MAPK1
SCHEMBL10672813 0.84 TRPM4 (0.54) ERN1TRPM4KDM4EALDH1A1HPGD
SCHEMBL8082067 0.83 ERN1 (0.61) ERN1KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL11211578 0.83 ERN1 (0.53) ERN1TRPM4KDM4EALDH1A1MAPK1
SCHEMBL8817298 0.83 ERN1 (0.61) ERN1TRPM4KDM4EALDH1A1MAPK1
SCHEMBL13678950 0.82 KDM4E (0.53) ERN1TRPM4KDM4EALDH1A1MAPK1
SCHEMBL20609652 0.80 ERN1 (0.54) ERN1TRPM4KDM4EALDH1A1MAPK1
SCHEMBL599396 0.79 ALDH1A1 (0.67) ERN1KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL30949367 0.79 ALDH1A1 (0.67) ERN1KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL12767507 0.78 ERN1 (1.00) ERN1KDM4EALDH1A1HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5597876-A CURING AGENT PROVIDES BETTER MECHANICAL PROPERTIES AT HIGH TEMPERATURE SHELL OIL COMPANY (US) 1997-01-28 US claimed
EP-1218178-B1 AN ADHESION PROMOTING LAYER FOR USE WITH EPOXY PREPREGS GA TEK INC (US) 2004-01-07 EP disclosed
EP-1218178-A4 AN ADHESION PROMOTING LAYER FOR USE WITH EPOXY PREPREGS GA TEK INC (US) 2003-01-08 EP disclosed
EP-1218178-A1 AN ADHESION PROMOTING LAYER FOR USE WITH EPOXY PREPREGS Ga-Tek Inc. (US) 2002-07-03 EP disclosed
WO-2001019607-A1 AN ADHESION PROMOTING LAYER FOR USE WITH EPOXY PREPREGS GA-TEK INC. (US) 2001-03-22 WO disclosed
US-6117536-A MULTILAYER STRUCTURE COMPRISING PREPREG LAYER MADE FROM EPOXY RESIN AND NON-AMINE CURING AGENT, NITROGEN-CONTAINING SILANE ADHESION PROMOTING LAYER GA-TEK INC. (US) 2000-09-12 US disclosed
EP-0720630-B1 EPOXY RESIN COMPOSITION SHELL INT RESEARCH (NL) 1999-03-17 EP disclosed
US-5597876-A CURING AGENT PROVIDES BETTER MECHANICAL PROPERTIES AT HIGH TEMPERATURE SHELL OIL COMPANY (US) 1997-01-28 US disclosed
EP-0720630-A1 EPOXY RESIN COMPOSITION SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1996-07-10 EP disclosed
EP-0682052-A1 Composition of epoxy resins based on condensed polynuclear aromatic compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1995-11-15 EP disclosed
WO-1995008584-A1 EPOXY RESIN COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1995-03-30 WO disclosed