SCHEMBL10694742

SCHEMBL10694742

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PKM P14618 3/20 0.43
PPARG P37231 5/20 0.43
PPARA Q07869 5/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGES O14684 2/20 0.42
ALOX5 P09917 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL10690529 0.85 KMT2A (0.53) MEN1KMT2AL3MBTL1PKMPPARA
SCHEMBL11021668 0.83 SMN1; SMN2 (0.62) MEN1KMT2ANPSR1PPARGSMN1; SMN2
SCHEMBL10694737 0.81 MEN1 (0.52) MEN1KMT2AL3MBTL1NPSR1PKM
SCHEMBL10694731 0.78 MEN1 (0.47) MEN1KMT2AL3MBTL1NPSR1PKM
SCHEMBL3672003 0.74 SMN1; SMN2 (0.64) MEN1KMT2ANPSR1PPARGSMN1; SMN2
SCHEMBL9691553 0.74 SMN1; SMN2 (0.56) MEN1KMT2AL3MBTL1NPSR1PPARG
SCHEMBL11022294 0.74 LMNA (0.56) NPSR1PPARGPPARAMAPK1
SCHEMBL619783 0.72 PPARG (0.59) MEN1KMT2APPARGPPARA
SCHEMBL10696078 0.72 ALDH1A1 (0.49) MEN1KMT2AL3MBTL1NPSR1PKM
SCHEMBL7671680 0.72 KMT2A (0.51) MEN1KMT2AL3MBTL1NPSR1CYP1A2

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