SCHEMBL934557

SCHEMBL934557

CC(Cc1ccc(-c2cnoc2)cc1)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
TBXAS1 P24557 2/20 0.35
VHL P40337 1/20 0.35
MME P08473 7/20 0.34
ACE P12821 7/20 0.34
BRD4 O60885 1/20 0.34
FFAR4 Q5NUL3 2/20 0.33
SRR Q9GZT4 1/20 0.33
PSAT1 Q9Y617 1/20 0.33
LIPC P11150 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 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
SCHEMBL933898 0.77 CYP17A1 (0.49) EPHX1TBXAS1
SCHEMBL26167691 0.77 SRR (0.54) MMEACESRRPSAT1GPR88
SCHEMBL933922 0.74 MKNK1 (0.55) TBXAS1
SCHEMBL12118748 0.71 EPHX1 (0.50) EPHX1
SCHEMBL22593510 0.71 EPHX1 (0.50) EPHX1
SCHEMBL23643109 0.71 EPHX1 (0.50) EPHX1
SCHEMBL14032489 0.71 TAAR1 (0.59) EPHX1ACE
SCHEMBL22937469 0.71 EPHX1 (0.50) EPHX1
SCHEMBL23643108 0.71 EPHX1 (0.50) EPHX1
SCHEMBL934530 0.71 TAAR1 (0.59) EPHX1ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed