SCHEMBL8546181

SCHEMBL8546181

ClCc1ccc(Oc2ccccc2Oc2ccc(CCl)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.58
ALDH1A1 P00352 2/20 0.52
HTT P42858 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MAPK1 P28482 1/20 0.52
LTA4H P09960 1/20 0.43
SLC6A4 P31645 5/20 0.41
HTR2A P28223 3/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 3/20 0.41
DPP4 P27487 1/20 0.40
HRH1 P35367 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
DAO P14920 1/20 0.38
FFAR1 O14842 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL1451281 0.90 HTT (0.70) TTRALDH1A1HTTL3MBTL1MAPK1
SCHEMBL11342414 0.88 SLC6A4 (0.47) TTRALDH1A1HTTL3MBTL1MAPK1
SCHEMBL6158567 0.86 DAO (0.52) TTRDAO
SCHEMBL9502693 0.86 TTR (0.50) TTRALDH1A1HTTL3MBTL1MAPK1
SCHEMBL510124 0.84 LTA4H (0.61) TTRLTA4HFFAR1
SCHEMBL1338731 0.83 ST14 (0.48) TTRALDH1A1LTA4HFFAR1
SCHEMBL8551187 0.83 ST14 (0.48) TTRALDH1A1LTA4HFFAR1
SCHEMBL32670327 0.81 CARM1 (0.51) TTRALDH1A1DPP4CARM1PRMT6
SCHEMBL9501898 0.79 DHFR (0.50) TTRALDH1A1HTTL3MBTL1MAPK1
SCHEMBL10855250 0.79 HPGD (0.55) TTRALDH1A1HTTL3MBTL1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696585-B1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMA CO LTD (JP) 1998-12-16 EP disclosed
US-5643931-A ANTIDIABETIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0696585-A1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed