SCHEMBL18533293

SCHEMBL18533293

C=CCC1(CC=C)COc2ccc(Cl)cc2C1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.32
DRD2 P14416 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL87287 0.70 MAOB (0.40) CYP1A2CYP3A4MAPT
SCHEMBL1988784 0.66 MAPK1 (0.44) MAPT
SCHEMBL6714496 0.62 MAOB (0.43) AHRCYP3A4MAPT
SCHEMBL3871171 0.62 MAPT (0.54) AHRMAPT
SCHEMBL29586886 0.62 MAPT (0.54) AHRMAPT
SCHEMBL10573500 0.61 HTR2A (0.40) AHRDRD2MAPTHRH4HRH3
SCHEMBL14494121 0.61
SCHEMBL10876327 0.61 CXCR5 (0.33) CYP1A2CYP3A4
SCHEMBL5823560 0.60
SCHEMBL29056084 0.59 ESR1 (0.39) AHRHRH4HRH3

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-2053095-B2 Ink composition and inkjet recording method using the same FUJIFILM CORP (JP) 2017-02-22 EP disclosed