SCHEMBL9652138

SCHEMBL9652138

CC(C)(C)C(=O)/C(C#N)=C(\O)c1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
TAS2R14 Q9NYV8 3/20 0.38
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
RORC P51449 1/20 0.37
CTNNB1 P35222 2/20 0.37
WNT3A P56704 2/20 0.37
DHODH Q02127 2/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL9652142 1.00 LMNA (0.43) LMNAGAATAS2R14KCNK3KCNK9
SCHEMBL9653711 0.82 CES2 (0.51) TAS2R14MEN1ALDH1A1KMT2ADHODH
SCHEMBL9653347 0.82 LMNA (0.42) LMNAGAATAS2R14KCNK3KCNK9
SCHEMBL9653344 0.82 LMNA (0.42) LMNAGAATAS2R14KCNK3KCNK9
SCHEMBL9652701 0.81 AR (0.41) LMNAMEN1ALDH1A1KMT2A
SCHEMBL9652706 0.81 AR (0.41) LMNAMEN1ALDH1A1KMT2A
SCHEMBL9653790 0.81 GABRA1 (0.41) DHODH
SCHEMBL9653800 0.81 GABRA1 (0.41) DHODH
SCHEMBL9653732 0.81 MEN1 (0.37) LMNAGAAMEN1ALDH1A1KMT2A
SCHEMBL9653723 0.81 MEN1 (0.37) LMNAGAAMEN1ALDH1A1KMT2A

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-0213892-B1 HERBICIDALLY ACTIVE ENOLS ROHM AND HAAS COMPANY (US) 1992-03-25 EP disclosed
US-4781750-A Herbicidally active enols ROHM AND HAAS COMPANY (US) 1988-11-01 US disclosed
EP-0213892-A2 Herbicidally active enols ROHM AND HAAS COMPANY (US) 1987-03-11 EP disclosed