SCHEMBL9301375

SCHEMBL9301375

COC(=O)c1ccccc1-c1ccccc1CO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.57
SLC6A4 P31645 3/20 0.57
ALDH1A1 P00352 4/20 0.53
LMNA P02545 2/20 0.53
TSHR P16473 2/20 0.50
SLC6A2 P23975 1/20 0.50
MAPK10 P53779 2/20 0.49
MAPK8 P45983 1/20 0.49
MAPK9 P45984 1/20 0.49
KDM4E B2RXH2 3/20 0.49
GLA P06280 1/20 0.49
CFTR P13569 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
PTK2B Q14289 1/20 0.45

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
SCHEMBL25143785 0.88 SLC6A3 (0.54) SLC6A3SLC6A4ALDH1A1LMNATSHR
SCHEMBL2093835 0.85 ALDH1A1 (0.64) SLC6A3SLC6A4ALDH1A1LMNATSHR
SCHEMBL69464 0.85 SLC6A3 (0.67) SLC6A3SLC6A4ALDH1A1LMNATSHR
SCHEMBL7168951 0.85 SLC6A3 (0.51) SLC6A3SLC6A4ALDH1A1LMNATSHR
SCHEMBL5284224 0.85 ALDH1A1 (0.55) SLC6A3SLC6A4ALDH1A1LMNATSHR
SCHEMBL3959092 0.85 ALDH1A1 (0.51) SLC6A3SLC6A4ALDH1A1LMNATSHR
SCHEMBL18539206 0.82 SLC6A3 (0.59) SLC6A3SLC6A4ALDH1A1LMNATSHR
SCHEMBL5072166 0.82 SLC6A3 (0.59) SLC6A3SLC6A4ALDH1A1LMNATSHR
SCHEMBL9119782 0.81 TDP1 (0.48) SLC6A3SLC6A4ALDH1A1LMNATSHR
SCHEMBL22256434 0.79 SLC6A3 (0.65) SLC6A3SLC6A4ALDH1A1LMNATSHR

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
US-5338737-A Biphenyl oxadiazoles and thiadiazoles as angiotensin II antagonists WARNER-LAMBERT COMPANY (US) 1994-08-16 US disclosed
US-5210204-A Hypotensive agents and cardiovascular disorders WARNER-LAMBERT COMPANY (US) 1993-05-11 US disclosed