SCHEMBL13480573

SCHEMBL13480573

CCNC(=O)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.73
LMNA P02545 1/20 0.68
POLB P06746 2/20 0.61
RAB9A P51151 2/20 0.60
MCHR1 Q99705 1/20 0.58
FAAH O00519 1/20 0.57
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
FPR2 P25090 1/20 0.55

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
SCHEMBL11778849 0.96 EPHX2 (0.67) EPHX2LMNAPOLBRAB9AMCHR1
SCHEMBL5314657 0.85 EPHX2 (0.69) EPHX2LMNAPOLBRAB9AMCHR1
SCHEMBL11555827 0.85 EPHX2 (1.00) EPHX2RAB9AFAAHHDAC3HDAC4
SCHEMBL4113151 0.84 EPHX2 (0.78) EPHX2LMNAPOLBRAB9AMCHR1
SCHEMBL4124179 0.84 EPHX2 (0.71) EPHX2LMNAPOLBRAB9AMCHR1
SCHEMBL22118180 0.83 EPHX2 (0.65) EPHX2LMNAPOLBRAB9AMCHR1
SCHEMBL16262995 0.83 EPHX2 (0.71) EPHX2POLBRAB9AFAAHHDAC3
SCHEMBL4117918 0.83 EPHX2 (0.76) EPHX2LMNAPOLBRAB9AMCHR1
SCHEMBL14559559 0.82 NAMPT (0.56) EPHX2LMNAPOLBRAB9AMCHR1
SCHEMBL2643999 0.82 EPHX2 (0.65) EPHX2LMNAPOLBRAB9AMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018045969-A1 COMPOUND FOR ACTIVATING ADENOSINE MONOPHOSPHATE-ACTIVATED PROTEIN KINASE 法玛科技顾问股份有限公司 2018-03-15 WO disclosed
US-7662910-B2 Inhibitors for the soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-02-16 US disclosed