SCHEMBL6465868

SCHEMBL6465868

C=C(c1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
GFER P55789 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
TSHR P16473 3/20 0.41
ALOX15 P16050 1/20 0.41
TPMT P51580 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39

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
SCHEMBL1796583 0.87 MAPT (0.55) MAPTHTTGFERHSD17B10GPR55
Hydrochloric Acid SCHEMBL27964006 0.85 MAPT (0.52) MAPTHTTGFERHSD17B10GPR55
SCHEMBL23559565 0.79 CES2 (0.45) MAPTHTTGFERHSD17B10GPR55
SCHEMBL3695975 0.78 CES2 (0.60) MAPTHTTGFERHSD17B10GPR55
SCHEMBL28466135 0.76 MAPT (0.44) MAPTHTTGFERHSD17B10GPR55
SCHEMBL27671898 0.76 SRD5A2 (0.64) MAPTHTTCES2CES1TSHR
SCHEMBL8617898 0.76 MAOA (0.48) MAPTHTTGFERHSD17B10GPR55
SCHEMBL10705376 0.76 HTT (0.46) MAPTHTTGFERHSD17B10GPR55
SCHEMBL22536964 0.76 CES2 (0.61) MAPTHTTGFERHSD17B10GPR55
SCHEMBL10473074 0.74 ALDH1A1 (0.47) MAPTHTTHSD17B10TSHRALOX15

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-1585713-A1 NEW STILBENE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR LIGAND ANTAGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2005-10-19 EP claimed
WO-2004041758-A1 NEW STILBENE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR LIGAND ANTAGONISTICS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (I.N.S.E.R.M.) (FR) 2004-05-21 WO claimed