SCHEMBL21035530

SCHEMBL21035530

CC(C)(C)OC(=O)NC1CCN(C(=O)[C@@H]2CN(Cc3ccc(-c4ccc(Cl)cn4)nc3)CCN2S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.39
MMP13 P45452 9/20 0.39
ADAM17 P78536 7/20 0.39
MMP9 P14780 5/20 0.39
MMP3 P08254 2/20 0.38
MMP7 P09237 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NAMPT P43490 1/20 0.36
CCR4 P51679 1/20 0.36
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
LMNA P02545 2/20 0.35
ACACB O00763 1/20 0.35
TSHR P16473 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
SCHEMBL21035090 0.96 GPR119 (0.40) MMP1MMP13ADAM17MMP9MMP3
SCHEMBL21036229 0.95 GPR119 (0.39) MMP1MMP13ADAM17MMP9MMP3
SCHEMBL21035600 0.92 MEN1 (0.41) MMP1MMP13ADAM17MMP9MMP3
SCHEMBL21035442 0.92 MEN1 (0.41) MMP1MMP13ADAM17MMP9MMP3
SCHEMBL21035340 0.92 MEN1 (0.41) MMP1MMP13ADAM17MMP9MMP3
SCHEMBL21035641 0.90 GPR119 (0.39) MMP1MMP13ADAM17MMP9PRKAB2
SCHEMBL21035508 0.89 SCN9A (0.41) MMP1MMP13ADAM17MMP9MMP3
SCHEMBL21035636 0.89 GPR119 (0.39) MMP1MMP13ADAM17MMP9MMP3
SCHEMBL21034973 0.89 GPR119 (0.39) MMP1MMP13ADAM17MMP9MMP3
SCHEMBL21034960 0.88 GPR119 (0.40) MMP1MMP13ADAM17MMP9MMP3

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