SCHEMBL21036229

SCHEMBL21036229

CC(C)(C)OC(=O)NC1CCN(C(=O)[C@@H]2CN(Cc3ccc(-c4ccc(Cl)cc4)nc3)CCN2S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP1 P03956 8/20 0.38
MMP13 P45452 7/20 0.38
ADAM17 P78536 5/20 0.38
MMP9 P14780 4/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
KCNQ1 P51787 1/20 0.37
HDAC1 Q13547 1/20 0.36
ALOX5 P09917 1/20 0.36
EPHX2 P34913 1/20 0.36
NAMPT P43490 1/20 0.36
LMNA P02545 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
SCHEMBL21035090 0.97 GPR119 (0.40) GPR119MEN1KMT2AMMP1MMP13
SCHEMBL21035530 0.95 MMP1 (0.39) MEN1KMT2AMMP1MMP13ADAM17
SCHEMBL21035442 0.94 MEN1 (0.41) MEN1KMT2AMMP1MMP13ADAM17
SCHEMBL21035600 0.94 MEN1 (0.41) MEN1KMT2AMMP1MMP13ADAM17
SCHEMBL21035340 0.94 MEN1 (0.41) MEN1KMT2AMMP1MMP13ADAM17
SCHEMBL21035641 0.94 GPR119 (0.39) GPR119MMP1MMP13ADAM17MMP9
SCHEMBL21035508 0.93 SCN9A (0.41) GPR119MMP1MMP13ADAM17MMP9
SCHEMBL21035636 0.93 GPR119 (0.39) GPR119MMP1MMP13ADAM17MMP9
SCHEMBL21034973 0.93 GPR119 (0.39) GPR119MMP1MMP13ADAM17MMP9
SCHEMBL21034960 0.92 GPR119 (0.40) GPR119MMP1MMP13ADAM17MMP9

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