SCHEMBL8856880

SCHEMBL8856880

CC(C)(c1cccc2c1oc1ccccc12)c1cccc2c1oc1ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
CYP2C19 P33261 1/20 0.55
ALOX5 P09917 3/20 0.42
AHR P35869 3/20 0.41
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 5/20 0.40
MAOA P21397 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
CDC14B O60729 1/20 0.39
CDC14A Q9UNH5 1/20 0.39
PGR P06401 1/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 3/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
PGAM1 P18669 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
SCHEMBL12411501 0.89 MEN1 (0.55) MEN1KMT2ACYP2C19ALOX5AHR
SCHEMBL25049910 0.82 MEN1 (0.50) MEN1KMT2ACYP2C19ALOX5AHR
SCHEMBL28264661 0.81 CYP2C19 (0.51) MEN1KMT2ACYP2C19ALOX5AHR
SCHEMBL18022257 0.79 ALOX5 (0.53) MEN1KMT2ACYP2C19ALOX5AHR
SCHEMBL17299529 0.77 MEN1 (0.46) MEN1KMT2ACYP2C19ALOX5AHR
SCHEMBL4554342 0.76 ALOX5 (0.54) MEN1KMT2ACYP2C19ALOX5AHR
SCHEMBL22171903 0.75 MAOA (0.58) MEN1KMT2ACYP2C19KDM4EALDH1A1
SCHEMBL17814813 0.75 CYP2C19 (0.54) MEN1KMT2ACYP2C19ALOX5AHR
SCHEMBL22740859 0.75 LMNA (0.44) MEN1KMT2ACYP2C19ALOX5AHR
SCHEMBL21971529 0.75 ALOX5 (0.49) MEN1KMT2ACYP2C19ALOX5AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0642510-A4 BISMALEIMIDE COMPOUNDS. COMMW SCIENT IND RES ORG (AU) 1997-04-02 EP claimed
US-5616666-A CURABLE COMPOSITION FREE OF OLIGOMERIC, AMIDIC AND UNCYCLIZED IMPURITIES; USEFUL IN IMPREGNATED FIBER REINFORCED MATERIALS AND ADVANCED COMPOSITES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1997-04-01 US claimed
EP-0642510-A1 BISMALEIMIDE COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-03-15 EP claimed
WO-1993024488-A1 BISMALEIMIDE COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1993-12-09 WO claimed
EP-0642510-A4 BISMALEIMIDE COMPOUNDS. COMMW SCIENT IND RES ORG (AU) 1997-04-02 EP disclosed
US-5616666-A CURABLE COMPOSITION FREE OF OLIGOMERIC, AMIDIC AND UNCYCLIZED IMPURITIES; USEFUL IN IMPREGNATED FIBER REINFORCED MATERIALS AND ADVANCED COMPOSITES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1997-04-01 US disclosed
EP-0642510-A1 BISMALEIMIDE COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-03-15 EP disclosed
WO-1993024488-A1 BISMALEIMIDE COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1993-12-09 WO disclosed