SCHEMBL21035359

SCHEMBL21035359

O=C(O)[C@@H]1CNCCN1S(=O)(=O)c1ccc(OCC2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.52
MMP13 P45452 7/20 0.52
MMP9 P14780 4/20 0.52
ADAM17 P78536 3/20 0.52
MMP3 P08254 3/20 0.52
MMP7 P09237 2/20 0.52
ALDH1A1 P00352 3/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.44
PARP15 Q460N3 2/20 0.44
PARP10 Q53GL7 2/20 0.44
LMNA P02545 1/20 0.43
RGS12 O14924 1/20 0.41

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
SCHEMBL21035574 0.82 MMP13 (0.53) MMP1MMP13MMP9ADAM17MMP3
SCHEMBL21035593 0.81 MMP1 (0.46) MMP1MMP13MMP9ADAM17MMP3
SCHEMBL7765009 0.79 MMP1 (0.58) MMP1MMP13MMP9ADAM17MMP3
Hydrochloric Acid SCHEMBL7349934 0.79 MMP1 (0.75) MMP1MMP13MMP9ADAM17MMP3
SCHEMBL21035075 0.79 MMP13 (0.45) MMP1MMP13MMP9ADAM17MMP3
SCHEMBL27488462 0.77 MMP9 (0.56) MMP1MMP13MMP9ADAM17MMP3
SCHEMBL21035512 0.77 MMP1 (0.47) MMP1MMP13ADAM17ALDH1A1HTT
SCHEMBL21035511 0.77 MMP1 (0.47) MMP1MMP13ADAM17ALDH1A1HTT
SCHEMBL4581963 0.76 MMP13 (0.52) MMP1MMP13MMP9ADAM17MMP3
SCHEMBL27583610 0.76 MMP1 (0.54) MMP1MMP13MMP9ADAM17MMP3

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