SCHEMBL21035580

SCHEMBL21035580

CC(C)(C)OC(=O)NC1CCN(C(=O)[C@@H]2C[C@@H](Oc3ccc(-c4ccc(Cl)cc4)cc3)CCN2S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ADAM17 P78536 4/20 0.39
MMP1 P03956 4/20 0.39
MMP13 P45452 4/20 0.39
NPSR1 Q6W5P4 1/20 0.36
MMP9 P14780 1/20 0.36
ALOX5 P09917 1/20 0.36
EPHX2 P34913 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
KCNQ1 P51787 1/20 0.36
LMNA P02545 1/20 0.36
MCL1 Q07820 3/20 0.36
GPR119 Q8TDV5 1/20 0.36
RGS12 O14924 1/20 0.35

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
SCHEMBL21035127 1.00 ACACB (0.41) ACACBKMT2AMEN1ADAM17MMP1
SCHEMBL21035662 1.00 ACACB (0.41) ACACBKMT2AMEN1ADAM17MMP1
SCHEMBL21035341 0.98 ACACB (0.42) ACACBKMT2AMEN1ADAM17MMP1
SCHEMBL21036277 0.96 ACACB (0.42) ACACBKMT2AMEN1ADAM17MMP1
SCHEMBL21035644 0.96 ACACB (0.42) ACACBKMT2AMEN1ADAM17MMP1
SCHEMBL21035086 0.96 ACACB (0.42) ACACBKMT2AMEN1ADAM17MMP1
SCHEMBL21035006 0.96 ACACB (0.42) ACACBKMT2AMEN1ADAM17MMP1
SCHEMBL21034927 0.92 ACACB (0.42) ACACBKMT2AMEN1ADAM17MMP1
SCHEMBL21035643 0.92 ACACB (0.41) ACACBKMT2AADAM17MMP1MMP13
SCHEMBL21035143 0.92 ACACB (0.41) ACACBKMT2AADAM17MMP1MMP13

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