SCHEMBL11097276

SCHEMBL11097276

COC(=S)CCCOc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.47
HTR2A P28223 4/20 0.46
SLC6A4 P31645 4/20 0.46
KCNH2 Q12809 4/20 0.46
PPARD Q03181 4/20 0.43
PPARA Q07869 4/20 0.43
MEN1 O00255 1/20 0.42
TTR P02766 1/20 0.42
PPOX P50336 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PPARG P37231 3/20 0.41
MRGPRX4 Q96LA9 3/20 0.40

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
SCHEMBL11242346 0.90 HTR2A (0.41) FFAR1HTR2ASLC6A4KCNH2PPARD
SCHEMBL11097872 0.88 FFAR1 (0.53) FFAR1HTR2ASLC6A4KCNH2PPARD
SCHEMBL11097098 0.86 MEN1 (0.57) FFAR1HTR2ASLC6A4KCNH2PPARD
SCHEMBL8748928 0.84 FFAR1 (0.54) FFAR1HTR2ASLC6A4KCNH2PPARD
SCHEMBL11417408 0.82 FFAR1 (0.49) FFAR1HTR2ASLC6A4KCNH2PPARD
SCHEMBL11231942 0.81 FFAR1 (0.50) FFAR1HTR2ASLC6A4KCNH2PPARD
SCHEMBL11094682 0.79 FFAR1 (0.48) FFAR1HTR2ASLC6A4KCNH2PPARD
SCHEMBL10691494 0.78 FFAR1 (0.49) FFAR1HTR2ASLC6A4KCNH2MEN1
SCHEMBL10688690 0.77 FFAR1 (0.54) FFAR1HTR2ASLC6A4KCNH2PPARD
SCHEMBL11120557 0.76 FFAR1 (0.48) FFAR1HTR2ASLC6A4KCNH2PPARD

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-0025773-B1 ALKYLCARBOXYLIC ACID DERIVATIVES THAT CONTAIN SULPHUR AND THAT SHOW A HERBICIDAL AND PLANT GROWTH CONTROLLING ACTIVITY, THEIR PREPARATION AND USE CIBA-GEIGY AG (CH) 1984-08-01 EP claimed
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 claimed
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