SCHEMBL15224223

SCHEMBL15224223

NCCCNC(=O)NCc1ccco1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.82
TDP1 Q9NUW8 1/20 0.80
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 3/20 0.51
GAA P10253 2/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL24575916 0.85 EPHX2 (0.83) EPHX2TDP1RAB9AALDH1A1GAA
SCHEMBL14970807 0.85 EPHX2 (0.82) EPHX2TDP1RAB9AALDH1A1GAA
SCHEMBL15224222 0.82 EPHX2 (0.72) EPHX2TDP1CA12CA1CA2
SCHEMBL15359448 0.80 EPHX2 (0.72) EPHX2TDP1CA12CA1CA2
SCHEMBL31556343 0.79 EPHX2 (0.68) EPHX2TDP1RAB9AALDH1A1GAA
SCHEMBL5116644 0.78 HPGD (0.71) EPHX2TDP1RAB9AALDH1A1HPGD
SCHEMBL5125065 0.78 EPHX2 (0.71) EPHX2TDP1RAB9AALDH1A1GAA
SCHEMBL10151326 0.77 CHRM2 (0.73) EPHX2TDP1CA12CA1CA2
SCHEMBL23012354 0.77 EPHX2 (0.60) EPHX2TDP1RAB9AALDH1A1GAA
SCHEMBL3524135 0.76 EPHX2 (0.63) EPHX2TDP1RAB9AALDH1A1GAA

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
EP-2439202-B1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 SALVAT LAB SA (ES) 2016-04-20 EP disclosed
US-8524894-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2013-09-03 US disclosed