SCHEMBL10690126

SCHEMBL10690126

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

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
LMNA P02545 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.54
FFAR1 O14842 1/20 0.54
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
LIPE Q05469 1/20 0.51
PPARG P37231 2/20 0.48
RAB9A P51151 1/20 0.47
MAPT P10636 2/20 0.47
ATM Q13315 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
XBP1 P17861 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL10715448 0.90 LMNA (0.57) SMN1; SMN2LMNAL3MBTL1FFAR1ALDH1A1
SCHEMBL731273 0.89 L3MBTL1 (0.62) SMN1; SMN2LMNAL3MBTL1FFAR1ALDH1A1
SCHEMBL10831697 0.88 SMN1; SMN2 (0.55) SMN1; SMN2LMNAL3MBTL1FFAR1ALDH1A1
SCHEMBL11344508 0.88 SMN1; SMN2 (0.52) SMN1; SMN2LMNAL3MBTL1FFAR1ALDH1A1
SCHEMBL11549227 0.87 SMN1; SMN2 (0.56) SMN1; SMN2LMNAFFAR1ALDH1A1KMT2A
Haloxyfop-P-Methyl SCHEMBL54814 0.86 LMNA (0.65) SMN1; SMN2LMNAL3MBTL1FFAR1ALDH1A1
Haloxyfop-P-Methyl SCHEMBL54547 0.86 LMNA (0.65) SMN1; SMN2LMNAL3MBTL1FFAR1ALDH1A1
Haloxyfop-P-Methyl SCHEMBL29370417 0.86 LMNA (0.65) SMN1; SMN2LMNAL3MBTL1FFAR1ALDH1A1
Haloxyfop-P-Methyl SCHEMBL29514646 0.86 LMNA (0.65) SMN1; SMN2LMNAL3MBTL1FFAR1ALDH1A1
SCHEMBL9362370 0.86 LIPE (0.60) SMN1; SMN2LMNAL3MBTL1FFAR1ALDH1A1

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