SCHEMBL11344508

SCHEMBL11344508

CCC(C)OC(=S)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
LMNA P02545 5/20 0.52
ALDH1A1 P00352 3/20 0.51
FFAR1 O14842 1/20 0.49
SCN9A Q15858 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
RAB9A P51151 1/20 0.47
LIPE Q05469 1/20 0.46
HPGD P15428 2/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL10690126 0.88 SMN1; SMN2 (0.57) SMN1; SMN2LMNAALDH1A1FFAR1MEN1
SCHEMBL2622341 0.86 SMN1; SMN2 (0.59) SMN1; SMN2LMNAALDH1A1FFAR1SCN9A
SCHEMBL10691845 0.84 SMN1; SMN2 (0.58) SMN1; SMN2LMNAALDH1A1FFAR1SCN9A
SCHEMBL11549227 0.81 SMN1; SMN2 (0.56) SMN1; SMN2LMNAALDH1A1FFAR1SCN9A
SCHEMBL11349350 0.81 SMN1; SMN2 (0.60) SMN1; SMN2LMNAALDH1A1FFAR1SCN9A
SCHEMBL731273 0.81 L3MBTL1 (0.62) SMN1; SMN2LMNAALDH1A1FFAR1MEN1
Haloxyfop SCHEMBL3675562 0.80 SMN1; SMN2 (0.65) SMN1; SMN2LMNAALDH1A1FFAR1MEN1
SCHEMBL9363159 0.80 SMN1; SMN2 (0.61) SMN1; SMN2LMNAALDH1A1FFAR1MEN1
Haloxyfop SCHEMBL33627 0.80 SMN1; SMN2 (0.65) SMN1; SMN2LMNAALDH1A1FFAR1MEN1
SCHEMBL9449585 0.80 SMN1; SMN2 (0.61) SMN1; SMN2LMNAALDH1A1FFAR1MEN1

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
EP-0000483-B1 TRIFLUOROMETHYL PYRIDINYL(OXY/THIO)PHENOXY PROPANOIC ACIDS AND PROPANOLS AND DERIVATIVES THEREOF THE DOW CHEMICAL COMPANY (US) 1981-10-14 EP disclosed
EP-0000483-A1 Trifluoromethyl pyridinyl(oxy/thio)phenoxy propanoic acids and propanols and derivatives thereof THE DOW CHEMICAL COMPANY (US) 1979-02-07 EP disclosed