SCHEMBL21035643

SCHEMBL21035643

CC(C)(C)OC(=O)NC1CC2CCC(C1)N2C(=O)[C@@H]1C[C@@H](Oc2ccc(-c3ccc(Cl)cc3)cc2)CCN1S(=O)(=O)c1ccc(OCC2CCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.41
ADAM17 P78536 4/20 0.39
MMP1 P03956 4/20 0.39
MMP13 P45452 4/20 0.37
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
KCNQ1 P51787 1/20 0.36
MCL1 Q07820 8/20 0.36
RGS12 O14924 1/20 0.35
BCL2 P10415 1/20 0.35
MMP9 P14780 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BCL2L1 Q07817 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
SCHEMBL21035143 1.00 ACACB (0.41) ACACBADAM17MMP1MMP13KMT2A
SCHEMBL21035408 1.00 ACACB (0.41) ACACBADAM17MMP1MMP13KMT2A
SCHEMBL21035514 0.99 ACACB (0.42) ACACBADAM17MMP1MMP13KMT2A
SCHEMBL21035679 0.99 ACACB (0.42) ACACBADAM17MMP1MMP13KMT2A
SCHEMBL21034951 0.92 ACACB (0.41) ACACBADAM17MMP1MMP13KMT2A
SCHEMBL21035576 0.92 ACACB (0.41) ACACBADAM17MMP1MMP13KMT2A
SCHEMBL21035580 0.92 ACACB (0.41) ACACBADAM17MMP1MMP13KMT2A
SCHEMBL21035662 0.92 ACACB (0.41) ACACBADAM17MMP1MMP13KMT2A
SCHEMBL21035127 0.92 ACACB (0.41) ACACBADAM17MMP1MMP13KMT2A
SCHEMBL21035006 0.91 ACACB (0.42) ACACBADAM17MMP1MMP13KMT2A

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