SCHEMBL11097872

SCHEMBL11097872

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.53
MEN1 O00255 1/20 0.49
TTR P02766 1/20 0.49
PPOX P50336 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PPARD Q03181 3/20 0.45
PPARA Q07869 3/20 0.45
HTR2A P28223 4/20 0.43
SLC6A4 P31645 4/20 0.43
KCNH2 Q12809 4/20 0.43
MRGPRX4 Q96LA9 3/20 0.42
PPARG P37231 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39

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 0.88 FFAR1 (0.47) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL11094278 0.87 MEN1 (0.64) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL11417408 0.84 FFAR1 (0.49) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL11231942 0.83 FFAR1 (0.50) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL8748928 0.80 FFAR1 (0.54) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL11242346 0.77 HTR2A (0.41) FFAR1PPARDPPARAHTR2ASLC6A4
SCHEMBL11097098 0.77 MEN1 (0.57) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL8378906 0.76 FFAR1 (0.62) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL11094682 0.75 FFAR1 (0.48) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL10690285 0.75 MEN1 (0.65) FFAR1MEN1TTRPPOXKMT2A

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-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