SCHEMBL21035503

SCHEMBL21035503

CC(C)(C)OC(=O)NC1CCN(C(=O)[C@@H]2CN(Cc3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)CCN2S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
MMP1 P03956 8/20 0.39
MMP13 P45452 8/20 0.39
MMP9 P14780 5/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
PRKAA2 P54646 2/20 0.38
CHRM4 P08173 1/20 0.38
SCN7A Q01118 1/20 0.38
SCN5A Q14524 1/20 0.38
DRD4 P21917 1/20 0.38
HTR2A P28223 1/20 0.38
ADAM17 P78536 4/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
ACACB O00763 1/20 0.37

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
SCHEMBL21034960 0.94 GPR119 (0.40) EPHX2MMP1MMP13MMP9MMP3
SCHEMBL21035636 0.94 GPR119 (0.39) EPHX2MMP1MMP13MMP9MMP3
SCHEMBL21035604 0.94 SCN9A (0.39) MMP1MMP13MMP9MMP3MMP7
SCHEMBL21034944 0.94 PRKAA2 (0.40) MMP1MMP13MMP9MMP3MMP7
SCHEMBL21035442 0.93 MEN1 (0.41) EPHX2MMP1MMP13MMP9MMP3
SCHEMBL21035340 0.93 MEN1 (0.41) EPHX2MMP1MMP13MMP9MMP3
SCHEMBL21035600 0.93 MEN1 (0.41) EPHX2MMP1MMP13MMP9MMP3
SCHEMBL21035570 0.92 MMP1 (0.40) MMP1MMP13MMP9MMP3MMP7
SCHEMBL21035608 0.90 MMP1 (0.42) EPHX2MMP1MMP13MMP9MMP3
SCHEMBL21035104 0.90 MMP1 (0.42) EPHX2MMP1MMP13MMP9MMP3

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-2019104011-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2019-05-31 WO disclosed