SCHEMBL10694731

SCHEMBL10694731

CCC(C)(Oc1ccc(Sc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
LMNA P02545 1/20 0.41
LIPE Q05469 1/20 0.41
MAPK1 P28482 1/20 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
SCHEMBL10694742 0.78 MEN1 (0.45) MEN1KMT2AL3MBTL1PKMNPSR1
SCHEMBL10690529 0.78 KMT2A (0.53) MEN1KMT2AL3MBTL1PKMCYP1A2
SCHEMBL10694737 0.77 MEN1 (0.52) MEN1KMT2AL3MBTL1PKMNPSR1
SCHEMBL10696078 0.73 ALDH1A1 (0.49) MEN1KMT2AL3MBTL1PKMNPSR1
SCHEMBL7671680 0.73 KMT2A (0.51) MEN1KMT2AL3MBTL1NPSR1CYP1A2
SCHEMBL8795412 0.71 SMN1; SMN2 (0.58) MEN1KMT2AL3MBTL1NPSR1SMN1; SMN2
SCHEMBL619782 0.71 ADORA3 (0.52) MEN1KMT2APPARDPPARA
SCHEMBL10933583 0.69 ADORA3 (0.46) ALDH1A1PPARDPPARALMNA
SCHEMBL3500736 0.69 PPARA (0.68) MEN1KMT2ANPSR1CYP1A2CYP2C19
SCHEMBL3672006 0.68 SMN1; SMN2 (0.66) MEN1KMT2ANPSR1SMN1; SMN2ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4753673-A GRASSY WEEDS THE DOW CHEMICAL COMPANY (US) 1988-06-28 US disclosed
US-4628099-A INTERMEDIATES FOR HERBICIDES THE DOW CHEMICAL COMPANY (US) 1986-12-09 US disclosed
US-4551170-A Herbicidal trifluoromethyl pyridinyloxyphenoxy and pyridinylthiophenoxy propanols and derivatives thereof THE DOW CHEMICAL COMPANY (US) 1985-11-05 US disclosed
US-4523017-A REACTING CHLORIDE SUBSTITUTED PYRIDINE COMPOUND WITH SUBSTITUTED PHENOL COMPOUND THE DOW CHEMICAL COMPANY (US) 1985-06-11 US disclosed
US-4491468-A Herbicidal trifluoromethyl pyridinyloxyphenoxy and pyridinylthiophenoxy propanenitriles and derivatives thereof THE DOW CHEMICAL COMPANY (US) 1985-01-01 US disclosed
US-4479001-A Trifluoromethyl pyridinylthiophenoxy propanoic acids and propanols and derivatives thereof THE DOW CHEMICAL COMPANY (US) 1984-10-23 US disclosed