SCHEMBL21035406

SCHEMBL21035406

CC(C)(C)OC(=O)NC1CC2CCC(C1)N2C(=O)[C@@H]1C[C@@H](Oc2ccc(Cl)c(Oc3ccccc3)c2)CN1S(=O)(=O)c1ccc2cc(OC3CCCC3)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MCL1 Q07820 12/20 0.36
MMP9 P14780 3/20 0.35
BCL2 P10415 4/20 0.34
BCL2L1 Q07817 3/20 0.34
MMP2 P08253 1/20 0.34
MMP1 P03956 3/20 0.34
MMP3 P08254 3/20 0.34
MMP7 P09237 3/20 0.34
BTK Q06187 1/20 0.33

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
SCHEMBL21035520 0.92 L3MBTL1 (0.39) KMT2AL3MBTL1MCL1MMP9MMP2
SCHEMBL21034983 0.90 MCL1 (0.38) KMT2AL3MBTL1MCL1MMP9BCL2
SCHEMBL21034978 0.89 MCL1 (0.39) KMT2AL3MBTL1MCL1MMP9BCL2
SCHEMBL21035354 0.89 MCL1 (0.39) KMT2AL3MBTL1MCL1MMP9BCL2
SCHEMBL21036274 0.89 MMP9 (0.35) KMT2AL3MBTL1MCL1MMP9BCL2
SCHEMBL21035316 0.89 MMP9 (0.36) KMT2AL3MBTL1MCL1MMP9BCL2
SCHEMBL21035404 0.89 MMP9 (0.36) KMT2AL3MBTL1MCL1MMP9BCL2
SCHEMBL21036275 0.87 MMP9 (0.38) MMP9MMP2MMP1MMP3MMP7
SCHEMBL21035407 0.87 MMP9 (0.38) MMP9MMP2MMP1MMP3MMP7
Trifluoroacetic Acid SCHEMBL21002135 0.85 MMP9 (0.35) MCL1MMP9MMP2MMP1MMP3

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