SCHEMBL11242346

SCHEMBL11242346

COC(=S)CCCOc1cc(Oc2ccc(C(F)(F)F)cc2)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.41
SLC6A4 P31645 5/20 0.41
KCNH2 Q12809 5/20 0.41
PPARA Q07869 5/20 0.38
FFAR1 O14842 1/20 0.38
PPARG P37231 4/20 0.38
LMNA P02545 1/20 0.38
ALOX5 P09917 1/20 0.38
PSEN1 P49768 1/20 0.38
PTPN7 P35236 1/20 0.37
DUSP3 P51452 1/20 0.37
MAPT P10636 1/20 0.37
PPARD Q03181 4/20 0.37
CACNA1B Q00975 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 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
SCHEMBL11097276 0.90 FFAR1 (0.47) HTR2ASLC6A4KCNH2PPARAFFAR1
SCHEMBL11097872 0.77 FFAR1 (0.53) HTR2ASLC6A4KCNH2PPARAFFAR1
SCHEMBL11097098 0.77 MEN1 (0.57) HTR2ASLC6A4KCNH2PPARAFFAR1
SCHEMBL8748928 0.73 FFAR1 (0.54) HTR2ASLC6A4KCNH2PPARAFFAR1
SCHEMBL11417408 0.70 FFAR1 (0.49) HTR2ASLC6A4KCNH2PPARAFFAR1
SCHEMBL11094682 0.69 FFAR1 (0.48) HTR2ASLC6A4KCNH2PPARAFFAR1
SCHEMBL11231942 0.69 FFAR1 (0.50) HTR2ASLC6A4KCNH2PPARAFFAR1
SCHEMBL11136749 0.68 KCNH2 (0.55) HTR2ASLC6A4KCNH2FFAR1
SCHEMBL8958925 0.68 PPARA (0.45) HTR2ASLC6A4KCNH2PPARAFFAR1
SCHEMBL3322824 0.68 HTR2A (0.43) HTR2ASLC6A4KCNH2PPARALMNA

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
US-4311514-A Sulfur-containing alkanecarboxylic acid derivatives with herbicidal and plant growth-regulating action, production thereof and method of use CIBA-GEIGY CORPORATION (US) 1982-01-19 US disclosed