SCHEMBL21035593

SCHEMBL21035593

CC1CCN(C(=O)[C@@H]2CNCCN2S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)CC1(F)F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 8/20 0.46
MMP13 P45452 8/20 0.46
MMP9 P14780 5/20 0.46
ADAM17 P78536 3/20 0.46
MMP3 P08254 4/20 0.44
MMP7 P09237 3/20 0.44
GHSR Q92847 2/20 0.43
GPR119 Q8TDV5 3/20 0.38
KMT2A Q03164 2/20 0.38
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37
MEN1 O00255 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
SCHEMBL21035359 0.81 MMP1 (0.52) MMP1MMP13MMP9ADAM17MMP3
SCHEMBL21035075 0.79 MMP13 (0.45) MMP1MMP13MMP9ADAM17MMP3
SCHEMBL21035100 0.71 GPR119 (0.39) MMP1MMP13MMP9ADAM17MMP3
SCHEMBL21035424 0.70 GHSR (0.40) MMP1ADAM17GHSRKMT2AMEN1
SCHEMBL21035574 0.69 MMP13 (0.53) MMP1MMP13MMP9ADAM17MMP3
SCHEMBL21035334 0.67 ADAM17 (0.55) MMP1MMP13ADAM17MMP3MMP7
SCHEMBL21035084 0.67 ADAM17 (0.55) MMP1MMP13ADAM17MMP3MMP7
SCHEMBL21035416 0.67 ADAM17 (0.55) MMP1MMP13ADAM17MMP3MMP7
SCHEMBL21035122 0.67 ADAM17 (0.55) MMP1MMP13ADAM17MMP3MMP7
SCHEMBL21035124 0.67 ADAM17 (0.55) MMP1MMP13ADAM17MMP3MMP7

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