SCHEMBL21034951

SCHEMBL21034951

CC(C)(C)OC(=O)NC1CC2CCC(C1)N2C(=O)[C@@H]1C[C@@H](Oc2ccc(Cl)cc2)CN1S(=O)(=O)c1ccc(OCC2CCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.41
MMP9 P14780 5/20 0.38
MMP2 P08253 4/20 0.38
MCL1 Q07820 9/20 0.36
ADAM17 P78536 4/20 0.36
MMP1 P03956 3/20 0.36
MMP13 P45452 2/20 0.36
BCL2 P10415 2/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MMP3 P08254 1/20 0.36

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
SCHEMBL21035576 1.00 ACACB (0.41) ACACBMMP9MMP2MCL1ADAM17
SCHEMBL21035514 0.94 ACACB (0.42) ACACBMMP9ADAM17MMP1MMP13
SCHEMBL21035679 0.94 ACACB (0.42) ACACBMMP9ADAM17MMP1MMP13
SCHEMBL21035408 0.92 ACACB (0.41) ACACBMMP9MCL1ADAM17MMP1
SCHEMBL21035643 0.92 ACACB (0.41) ACACBMMP9MCL1ADAM17MMP1
SCHEMBL21035143 0.92 ACACB (0.41) ACACBMMP9MCL1ADAM17MMP1
SCHEMBL21034927 0.90 ACACB (0.42) ACACBMMP9MMP2ADAM17MMP1
SCHEMBL21034946 0.86 MMP1 (0.38) MMP9MMP2MCL1ADAM17MMP1
SCHEMBL21035572 0.86 MMP1 (0.38) MMP9MMP2MCL1ADAM17MMP1
SCHEMBL21035404 0.86 MMP9 (0.36) MMP9MMP2MCL1ADAM17MMP1

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