SCHEMBL9726307

SCHEMBL9726307

COC(=O)c1c(CF)nc(C(F)(F)F)c(C(=O)OC)c1CC(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
GCGR P47871 1/20 0.32
KDM4E B2RXH2 2/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL8692924 0.89 GCGR (0.35) ALDH1A1HPGDGCGRKDM4ELMNA
SCHEMBL8360689 0.85 GCGR (0.36) ALDH1A1HPGDGCGR
SCHEMBL9726358 0.85 KDM4E (0.34) ALDH1A1HPGDGCGRKDM4ELMNA
SCHEMBL9726386 0.84 LMNA (0.32) ALDH1A1HPGDGCGRLMNA
SCHEMBL8693608 0.82 GCGR (0.34) GCGR
SCHEMBL28769051 0.79 GCGR (0.32) GCGR
SCHEMBL8359305 0.79 KDM4E (0.38) ALDH1A1HPGDKDM4ELMNA
SCHEMBL8360972 0.78 ALDH1A1 (0.32) ALDH1A1HPGD
SCHEMBL8310160 0.78 GCGR (0.32) GCGR
SCHEMBL9203684 0.76 GCGR (0.30) GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5142055-A Dehydrofluorinating reduced fluoroalkyl pyridine compound MONSANTO COMPANY (US) 1992-08-25 US disclosed
US-4978384-A HERBICIDES MONSANTO COMPANY (US) 1990-12-18 US disclosed
US-4826530-A PREEEMERGENCE AND SELECTIVE POSTEMEREGENCE HERBICIDES MONSANTO COMPANY (US) 1989-05-02 US disclosed
US-4692184-A HERBICIDES MONSANTO COMPANY (US) 1987-09-08 US disclosed
EP-0133612-A2 Substituted 2,6-substituted pyridine compounds MONSANTO COMPANY (US) 1985-02-27 EP disclosed