SCHEMBL21035360

SCHEMBL21035360

NC1CC2CCC(C1)N2C(=O)[C@@H]1CN(Cc2ccc(C3(C(F)(F)F)CC3)cc2)CCN1S(=O)(=O)c1ccc(OCC2CCCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.38
MMP13 P45452 5/20 0.38
MMP9 P14780 3/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
ADAM17 P78536 10/20 0.36
GRM2 Q14416 3/20 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
SCHEMBL21035485 0.90 GHSR (0.40) MMP1MMP13MMP9MMP3MMP7
SCHEMBL21036239 0.90 GHSR (0.40) MMP1MMP13MMP9MMP3MMP7
SCHEMBL21035621 0.89 GHSR (0.44) MMP1MMP13MMP9MMP3MMP7
SCHEMBL21035357 0.88 MMP1 (0.38) MMP1MMP13MMP9MMP3MMP7
SCHEMBL21034958 0.87 MMP1 (0.42) MMP1MMP13MMP9MMP3MMP7
SCHEMBL21036215 0.87 MMP1 (0.42) MMP1MMP13MMP9MMP3MMP7
SCHEMBL21035053 0.87 MMP1 (0.42) MMP1MMP13MMP9MMP3MMP7
SCHEMBL21035640 0.86 MMP1 (0.35) MMP1MMP13MMP9MMP3MMP7
SCHEMBL21035569 0.79 MMP1 (0.43) MMP1MMP13MMP9MMP3MMP7
SCHEMBL21035568 0.79 MMP1 (0.43) MMP1MMP13MMP9MMP3MMP7

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