SCHEMBL11097098

SCHEMBL11097098

COC(=S)CCCOc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
TTR P02766 1/20 0.57
PPOX P50336 1/20 0.57
LMNA P02545 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
FFAR1 O14842 2/20 0.44
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 4/20 0.42
PPARD Q03181 2/20 0.41
PPARA Q07869 1/20 0.41
PPARG P37231 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL11094278 0.91 MEN1 (0.64) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11097276 0.86 FFAR1 (0.47) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10344873 0.85 MEN1 (0.64) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10689482 0.85 TDP1 (0.59) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10607104 0.85 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL8849807 0.84 MEN1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10616574 0.84 MEN1 (0.60) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11740157 0.83 MEN1 (0.64) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10950354 0.83 MEN1 (0.56) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10963877 0.83 MEN1 (0.64) MEN1KMT2ATDP1TTRPPOX

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