SCHEMBL9499548

SCHEMBL9499548

CCCCCCCCCCc1ccc2oc3ccccc3c(=S)c2c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
RORA P35398 1/20 0.44
RORC P51449 1/20 0.44
RORB Q92753 1/20 0.44
GPR3 P46089 1/20 0.42
PDE10A Q9Y233 1/20 0.41
MAPT P10636 1/20 0.41
DRD2 P14416 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL11119825 1.00 CYP1A2 (0.54) CYP1A2CYP2D6CYP2C19RORARORC
SCHEMBL1823418 1.00 CYP1A2 (0.54) CYP1A2CYP2D6CYP2C19RORARORC
SCHEMBL11117587 0.99 CYP1A2 (0.55) CYP1A2CYP2D6CYP2C19RORARORC
SCHEMBL11120439 0.94 CYP1A2 (0.56) CYP1A2CYP2D6CYP2C19PDE10A
SCHEMBL7783535 0.88 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C19PDE10AMAPT
SCHEMBL16806183 0.84 CYP1A2 (0.66) CYP1A2CYP2D6CYP2C19RORARORC
SCHEMBL5312146 0.83 CYP1A2 (0.54) CYP1A2CYP2D6CYP2C19RORARORC
SCHEMBL8642862 0.83 CYP1A2 (0.54) CYP1A2CYP2D6CYP2C19RORARORC
SCHEMBL248557 0.82 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C19PDE10AMAPT
SCHEMBL5337478 0.82 CYP1A2 (0.56) CYP1A2CYP2D6CYP2C19SLC6A2HTR2A

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
EP-0330619-B1 UV-CURABLE BINDER FOR CERAMIC COATINGS CIBA-GEIGY AG (CH) 1993-06-09 EP disclosed
EP-0330619-A2 UV-curable binder for ceramic coatings CIBA-GEIGY AG (CH) 1989-08-30 EP disclosed