SCHEMBL17899746

SCHEMBL17899746

Cc1ccc2c(c1)c1ccccc1oc1ccccc1c1cc(C)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.52
MAPT P10636 6/20 0.50
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 5/20 0.50
HPGD P15428 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAOB P27338 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAOA P21397 4/20 0.46
TNKS O95271 1/20 0.46
PARP1 P09874 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
CYP3A4 P08684 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GLA P06280 1/20 0.45
PGAM1 P18669 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
SCHEMBL9917127 0.89 MAOB (0.50) AHRMAPTKDM4EALDH1A1HPGD
SCHEMBL9917126 0.89 MAOB (0.50) AHRMAPTKDM4EALDH1A1HPGD
SCHEMBL808014 0.89 MAPT (0.59) AHRMAPTKDM4EALDH1A1HPGD
SCHEMBL30743074 0.89 AHR (0.59) AHRMAPTKDM4EALDH1A1HPGD
SCHEMBL2628334 0.89 AHR (0.59) AHRMAPTKDM4EALDH1A1HPGD
SCHEMBL16809358 0.86 AHR (0.55) AHRMAPTKDM4EALDH1A1HPGD
SCHEMBL15785771 0.86 MAPT (0.55) AHRMAPTKDM4EALDH1A1HPGD
SCHEMBL18379758 0.85 MAOB (0.57) AHRMAPTKDM4EALDH1A1HPGD
SCHEMBL2728993 0.85 NPSR1 (0.53) MAPTKDM4EALDH1A1HPGDKMT2A
SCHEMBL26768142 0.85 NPSR1 (0.53) MAPTKDM4EALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272894-B1 POLYMER COMPOUND, RETICULATED POLYMER COMPOUND PRODUCED BY CROSSLINKING THE POLYMER COMPOUND, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY, AND ORGANIC EL LIGHTING MITSUBISHI CHEM CORP (JP) 2016-07-06 EP disclosed