SCHEMBL11110263

SCHEMBL11110263

ClCN(CCOCc1ccccc1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
PPARG P37231 2/20 0.39
PPARA Q07869 1/20 0.39
BCHE P06276 3/20 0.39
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
NAAA Q02083 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LTA4H P09960 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL10503182 0.90 TSHR (0.47) TSHRPPARGPPARABCHEOPRM1
SCHEMBL11465304 0.89 TSHR (0.54) TSHRPPARGPPARABCHEOPRM1
SCHEMBL2248674 0.83 TSHR (0.47) TSHRPPARGPPARABCHENAAA
SCHEMBL10622030 0.81 HTT (0.49) TSHRPPARGPPARABCHEOPRM1
SCHEMBL6505489 0.79 TSHR (0.52) TSHRPPARGNAAAL3MBTL1LTA4H
SCHEMBL10502279 0.79 PPARG (0.56) TSHRPPARGPPARAL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL6504351 0.78 TSHR (0.50) TSHRPPARGNAAALTA4HALDH1A1
SCHEMBL9422360 0.78 TSHR (0.41) TSHRPPARGPPARABCHEOPRM1
SCHEMBL2795989 0.77 OPRM1 (0.44) TSHROPRM1OPRD1OPRK1ALDH1A1
SCHEMBL12918861 0.77 TSHR (0.45) TSHROPRM1OPRD1OPRK1ALDH1A1

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-0114002-A2 Benzothiopyrano(4,3,2,-cd)indazoles, their pharmaceutical compositions and methods for their production WARNER-LAMBERT COMPANY (US) 1984-07-25 EP disclosed