SCHEMBL686716

SCHEMBL686716

CC(C)(C)OC(=O)Nc1[c]cc(OC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.43
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
TRPV1 Q8NER1 3/20 0.41
KMT2A Q03164 2/20 0.38
IDH1 O75874 2/20 0.38
MEN1 O00255 1/20 0.38
DYRK1A Q13627 1/20 0.37
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
ATR Q13535 1/20 0.36
FAAH O00519 1/20 0.35

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
SCHEMBL4422986 0.81 RXFP1 (0.43) EPHX2TRPV1POLBLMNAMAPT
SCHEMBL3427239 0.79 EPHX2 (0.65) EPHX2TRPV1KMT2AMEN1LMNA
SCHEMBL2994541 0.79 EPHX2 (0.47) EPHX2TRPV1KMT2AMEN1DYRK1A
SCHEMBL22816953 0.75 EPHX2 (0.59) EPHX2TRPV1KMT2AMAPTL3MBTL1
SCHEMBL2993681 0.75 L3MBTL1 (0.40) EPHX2KMT2AMEN1POLBLMNA
SCHEMBL7794191 0.73 CYP17A1 (0.49) EPHX2KCNQ3KCNQ2TRPV1IDH1
SCHEMBL31135377 0.73 BRAF (0.47) EPHX2KCNQ3KCNQ2TRPV1IDH1
SCHEMBL21268295 0.73 IDH1 (0.39) EPHX2KCNQ3KCNQ2TRPV1IDH1
SCHEMBL6754908 0.73 KCNQ3 (0.46) EPHX2KCNQ3KCNQ2TRPV1IDH1
SCHEMBL7665668 0.73 KCNQ3 (0.46) EPHX2KCNQ3KCNQ2TRPV1POLB

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-1667966-B1 N-ALKYLATED DIAMINOPROPANE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2012-02-29 EP disclosed
EP-1606255-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2009-11-11 EP disclosed
EP-2098508-A1 Cyclic derivatives as modulators of chemokine receptor activity Bristol-Myers Squibb Company (US) 2009-09-09 EP disclosed