SCHEMBL8359305

SCHEMBL8359305

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 6/20 0.36
POLB P06746 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 5/20 0.36
CYP3A4 P08684 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 2/20 0.35
HSP90AA1 P07900 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34

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
SCHEMBL8360689 0.92 GCGR (0.36) ALDH1A1MAPTHPGDNPSR1CA12
SCHEMBL6732478 0.88 KDM4E (0.44) KDM4EALDH1A1POLBMAPK1SMN1; SMN2
SCHEMBL9726294 0.87 KDM4E (0.36) KDM4EALDH1A1POLBMAPK1SMN1; SMN2
SCHEMBL8692924 0.86 GCGR (0.35) KDM4EALDH1A1MAPK1MAPTLMNA
SCHEMBL9726358 0.84 KDM4E (0.34) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9189663 0.81 KDM4E (0.39) KDM4EALDH1A1POLBMAPK1SMN1; SMN2
SCHEMBL832632 0.81 KDM4E (0.39) KDM4EALDH1A1POLBMAPK1SMN1; SMN2
SCHEMBL8693608 0.79 GCGR (0.34)
SCHEMBL9726307 0.79 ALDH1A1 (0.33) KDM4EALDH1A1LMNAHPGD
SCHEMBL9726386 0.78 LMNA (0.32) ALDH1A1KMT2AMEN1MAPTLMNA

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