SCHEMBL9726327

SCHEMBL9726327

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
ADORA3 P0DMS8 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
IDO1 P14902 1/20 0.34
RORC P51449 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 2/20 0.33
HSP90AA1 P07900 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL9726388 0.88 KDM4E (0.41) KDM4EMAPTKMT2APOLBADORA3
SCHEMBL6731647 0.85 ADORA3 (0.41) KDM4EMAPTKMT2APOLBADORA3
SCHEMBL10688342 0.85 KDM4E (0.44) KDM4EMAPTKMT2APOLBADORA3
SCHEMBL9726407 0.84 KDM4E (0.41) KDM4EMAPTKMT2APOLBADORA3
SCHEMBL9726329 0.83 SMN1; SMN2 (0.41) KDM4EMAPTKMT2APOLBADORA3
SCHEMBL28845147 0.82 ADORA3 (0.41) KDM4EMAPTKMT2APOLBADORA3
SCHEMBL9726274 0.82 ALDH1A1 (0.39) KDM4EMAPTKMT2APOLBADORA3
SCHEMBL9726286 0.81 KDM4E (0.40) KDM4EMAPTKMT2APOLBADORA3
SCHEMBL9726378 0.81 KDM4E (0.48) KDM4EMAPTKMT2APOLBADORA3
SCHEMBL9726369 0.80 KDM4E (0.39) KDM4EMAPTKMT2APOLBALDH1A1

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-5142055-A Dehydrofluorinating reduced fluoroalkyl pyridine compound MONSANTO COMPANY (US) 1992-08-25 US disclosed
EP-0133612-B1 SUBSTITUTED 2,6-SUBSTITUTED PYRIDINE COMPOUNDS MONSANTO COMPANY (US) 1991-02-27 EP 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