SCHEMBL7996318

SCHEMBL7996318

Oc1cc2cccc3ccc4c5ccccc5cc1c4c32

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.67
FYN P06241 2/20 0.67
ACHE P22303 2/20 0.67
AHR P35869 2/20 0.67
ERBB2 P04626 1/20 0.67
MAOA P21397 1/20 0.67
TRPM4 Q8TD43 1/20 0.57
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 4/20 0.47
HIF1A Q16665 2/20 0.47
CYP1B1 Q16678 2/20 0.47
THRB P10828 1/20 0.47
NQO2 P16083 1/20 0.46
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.41
LCK P06239 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
SCHEMBL4851768 0.83 CYP1A2 (0.74) CYP1A2FYNACHEAHRERBB2
SCHEMBL4854001 0.83 CYP1A2 (0.74) CYP1A2FYNACHEAHRERBB2
SCHEMBL4852478 0.83 CYP1A2 (0.96) CYP1A2FYNACHEAHRERBB2
SCHEMBL4853221 0.81 CYP1A2 (0.78) CYP1A2FYNACHEAHRERBB2
SCHEMBL4856361 0.81 CYP1A2 (0.70) CYP1A2FYNACHEAHRERBB2
SCHEMBL28185455 0.81 CYP1A2 (0.48) CYP1A2FYNACHEAHRERBB2
Benzo[Def]Chrysene SCHEMBL23414475 0.81 CYP1A2 (1.00) CYP1A2FYNACHEAHRERBB2
Benzo[Def]Chrysene SCHEMBL24019 0.81 CYP1A2 (1.00) CYP1A2FYNACHEAHRERBB2
Benzo[Def]Chrysene SCHEMBL17114373 0.81 CYP1A2 (1.00) CYP1A2FYNACHEAHRERBB2
Benzo[Def]Chrysene SCHEMBL29352452 0.81 CYP1A2 (1.00) CYP1A2FYNACHEAHRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294380-B1 Liver cell clones for use in extracorporeal liver-assist device JMS CO., LTD. (JP) 2001-09-25 US disclosed
EP-1063289-A1 Liver cell clones for artifical liver and extracorporeal liver assist device JMS Co., Ltd. (JP) 2000-12-27 EP disclosed