SCHEMBL21035520

SCHEMBL21035520

CC(C)(C)OC(=O)NC1CC2CCC(C1)N2C(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1S(=O)(=O)c1ccc2cc(OC3CCCC3)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 1/20 0.39
MMP1 P03956 4/20 0.37
MMP3 P08254 4/20 0.37
MMP9 P14780 3/20 0.37
ADAM17 P78536 1/20 0.37
MMP2 P08253 2/20 0.36
MCL1 Q07820 5/20 0.36
LMNA P02545 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
ACACB O00763 1/20 0.35
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
MMP7 P09237 3/20 0.35
CCR4 P51679 2/20 0.35
MAPK1 P28482 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL21035354 0.97 MCL1 (0.39) L3MBTL1KMT2AMMP3MMP9MMP2
SCHEMBL21034978 0.97 MCL1 (0.39) L3MBTL1KMT2AMMP3MMP9MMP2
SCHEMBL21035316 0.93 MMP9 (0.36) L3MBTL1KMT2AMMP1MMP3MMP9
SCHEMBL21035404 0.93 MMP9 (0.36) L3MBTL1KMT2AMMP1MMP3MMP9
SCHEMBL21035406 0.92 KMT2A (0.36) L3MBTL1KMT2AMMP1MMP3MMP9
SCHEMBL21034983 0.91 MCL1 (0.38) L3MBTL1KMT2AMMP9MMP2MCL1
SCHEMBL21035667 0.87 ITGB1 (0.39) L3MBTL1KMT2AHCRTR1HCRTR2
SCHEMBL21035131 0.86 ITGB1 (0.38) L3MBTL1KMT2AMCL1HCRTR1HCRTR2
SCHEMBL21035008 0.86 ITGB1 (0.38) L3MBTL1KMT2AMCL1HCRTR1HCRTR2
SCHEMBL21035619 0.85 MMP9 (0.37) L3MBTL1KMT2AMMP1MMP3MMP9

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