SCHEMBL11352199

SCHEMBL11352199

CCCCCCCCCc1ccc(O)c(C(C)(C)N)c1C(C)(C)N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.53
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX5 P09917 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2A Q92830 1/20 0.41

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
SCHEMBL11495521 0.83 TYR (0.56) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL27880027 0.83 TYR (0.56) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL816624 0.83 TYR (0.56) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL379742 0.77 TYR (0.57) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL107304 0.76 TYR (0.51) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL9074096 0.76 TYR (0.50) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL688631 0.75 BID (0.56) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL11582639 0.75 BID (0.56) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL9619227 0.74 MAPT (0.43) MEN1CYP3A4MAPTHTTKMT2A
SCHEMBL9324343 0.72 CNR1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0003479-B1 HARDENING AGENTS AND PROCESS FOR PREPARING EPOXY RESIN POLYADDUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1981-09-16 EP disclosed
US-4269742-A REACTING AN EPOXY COMPOUND WITH A LIQUID AMINE PREPARED BY REACTING A MANNICH BASE WITH A AMINO-AMIDE WITH OR WITHOUT AN IMIDAZOLINE RING, OR A POLYAMINE; LOW TEMPERATURE SCHERING AKTIENGESELLSCHAFT (DE) 1981-05-26 US disclosed
EP-0003479-A1 Hardening agents and process for preparing epoxy resin polyadducts SCHERING AKTIENGESELLSCHAFT (DE) 1979-08-22 EP disclosed