SCHEMBL7708931

SCHEMBL7708931

COC(=O)Cc1ccc(N)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.46
GAA P10253 4/20 0.43
TSHR P16473 2/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
EPHX2 P34913 6/20 0.42
ALDH1A1 P00352 1/20 0.41
GFER P55789 1/20 0.41
POLQ O75417 5/20 0.39
CFTR P13569 2/20 0.38
NOTUM Q6P988 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HSP90AB1 P08238 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
SCHEMBL1016308 0.85 NR1H2 (0.47) NR1H2GAATSHRGLAPOLB
SCHEMBL12676663 0.85 NR1H2 (0.44) NR1H2GAATSHRGLAPOLB
SCHEMBL20832037 0.83 IDO1 (0.51) EPHX2POLQ
SCHEMBL15897802 0.82 POLQ (0.56) EPHX2ALDH1A1POLQMAPTHTT
SCHEMBL20562983 0.82 NOTUM (0.43) EPHX2POLQNOTUMHSP90AB1
SCHEMBL23395656 0.82 EPHX2 (0.61) EPHX2ALDH1A1
SCHEMBL25756877 0.81 S1PR1 (0.43) NR1H2GAATSHRGLAPOLB
SCHEMBL2728649 0.81 GLA (0.48) NR1H2GAATSHRGLAPOLB
SCHEMBL8144382 0.80 ALDH1A1 (0.47) GAATSHRGLAALDH1A1GFER
SCHEMBL7714562 0.80 GAA (0.44) GAATSHRGLAALDH1A1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865421-B1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LTD (GB) 2002-03-27 EP disclosed
US-6048872-A DIETETICS; ANTIDIABETIC AGENTS; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS GLAXO WELLCOME INC. (US) 2000-04-11 US disclosed
EP-0865421-A1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 1998-09-23 EP disclosed
WO-1997021665-A1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 1997-06-19 WO disclosed