SCHEMBL8360689

SCHEMBL8360689

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.36
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
MAPT P10636 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 0.93 GCGR (0.35) GCGRCA12CA1CA2CA7
SCHEMBL8359305 0.92 KDM4E (0.38) CA12CA1CA2CA7CA9
SCHEMBL9726358 0.89 KDM4E (0.34) GCGRNPC1PKMNPSR1ALDH1A1
SCHEMBL8693608 0.85 GCGR (0.34) GCGR
SCHEMBL9726307 0.85 ALDH1A1 (0.33) GCGRALDH1A1HPGD
SCHEMBL28769051 0.82 GCGR (0.32) GCGRNPC1PKM
SCHEMBL9726386 0.82 LMNA (0.32) GCGRNPC1PKMALDH1A1HPGD
SCHEMBL8310160 0.81 GCGR (0.32) GCGR
SCHEMBL9203684 0.79 GCGR (0.30) GCGR
SCHEMBL27335590 0.79 GCGR (0.32) GCGRNPC1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5877119-A HERBICIDE ROHM AND HAAS COMPANY (US) 1999-03-02 US disclosed
US-5843867-A Substituted pyridine compounds ROHM AND HAAS COMPANY (US) 1998-12-01 US disclosed
US-5824625-A HERBICIDES, HETEROCYCLIC GROUP(S) ATTACHED TO PYRIDINE RING ROHM AND HAAS COMPANY 1998-10-20 US disclosed
US-5643854-A HERBICIDES ROHM AND HAAS COMPANY (US) 1997-07-01 US disclosed
US-5512536-A HERBICIDE ROHN AND HAAS COMPANY (US) 1996-04-30 US disclosed
US-5391540-A Herbicides ROHM AND HAAS COMPANY (US) 1995-02-21 US disclosed
EP-0573575-A1 SUBSTITUTED PYRIDINE COMPOUNDS ROHM AND HAAS COMPANY (US) 1993-12-15 EP disclosed
US-5228897-A Herbicides MONSANTO COMPANY (US) 1993-07-20 US disclosed
WO-1992014711-A1 SUBSTITUTED PYRIDINE COMPOUNDS MONSANTO COMPANY (US) 1992-09-03 WO disclosed
US-5125956-A Preemergence herbicides MONSANTO COMPANY (US) 1992-06-30 US disclosed