SCHEMBL2167447

SCHEMBL2167447

CC(C)(C)OC(=O)NCCC(O)c1cccc(N(C(=O)O)C(C2CCCC2)C(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
BCHE P06276 1/20 0.36
USP30 Q70CQ3 2/20 0.34
IDO1 P14902 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
GPR88 Q9GZN0 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
BACE1 P56817 1/20 0.33
CCR5 P51681 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
NQO2 P16083 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL2797442 0.82 EPHX1 (0.36) EPHX1BCHEGPR88MEN1GAA
SCHEMBL2166671 0.79 EPHX1 (0.39) EPHX1BCHENQO2
SCHEMBL27836334 0.78 EPHX1 (0.41) EPHX1BCHEIDO1UTS2RGPR88
SCHEMBL2167444 0.78 EPHX1 (0.36) EPHX1BCHEIDO1GPR88NQO2
SCHEMBL2178099 0.76 IDO1 (0.42) IDO1MEN1KMT2ABACE1
SCHEMBL2173930 0.75 MALT1 (0.36) IDO1UTS2RMEN1GAAKMT2A
SCHEMBL2177713 0.75 BACE1 (0.44) IDO1MEN1KMT2ABACE1
SCHEMBL3124904 0.74 CYP3A4 (0.38) EPHX1MEN1GAAKMT2ANQO2
SCHEMBL2821039 0.74 GPR88 (0.39) IDO1GPR88MEN1GAAKMT2A
SCHEMBL2167622 0.74 USP30 (0.36) USP30IDO1UTS2RGPR88CCR5

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
EP-2340242-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-06 EP disclosed