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SCHEMBL21035472

SCHEMBL21035472

CC(C)(C)OC(=O)NC1CCN(C(=O)[C@@H]2CN(C(=O)c3ccc(OC(F)(F)F)cc3)CCN2S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 10/20 0.49
▸ MMP13 P45452 10/20 0.49
▸ MMP9 P14780 6/20 0.49
▸ EPHX2 P34913 4/20 0.42
▸ ADAM17 P78536 5/20 0.41
▸ MMP3 P08254 4/20 0.39
▸ MMP7 P09237 4/20 0.39
▸ NAMPT P43490 2/20 0.38
▸ EPHX1 P07099 1/20 0.38

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
SCHEMBL21035598 0.90 MMP1 (0.43) MMP1MMP13MMP9EPHX2ADAM17
SCHEMBL21035070 0.90 MMP1 (0.43) MMP1MMP13MMP9EPHX2ADAM17
SCHEMBL21035503 0.88 EPHX2 (0.39) MMP1MMP13MMP9EPHX2ADAM17
SCHEMBL21036264 0.84 MMP1 (0.47) MMP1MMP13MMP9EPHX2MMP3
SCHEMBL21035636 0.84 GPR119 (0.39) MMP1MMP13MMP9EPHX2ADAM17
SCHEMBL21034960 0.83 GPR119 (0.40) MMP1MMP13MMP9EPHX2ADAM17
SCHEMBL21035570 0.82 MMP1 (0.40) MMP1MMP13MMP9ADAM17MMP3
SCHEMBL21035368 0.82 ACACB (0.38) MMP1MMP13MMP9EPHX2ADAM17
SCHEMBL21036251 0.82 ACACB (0.38) MMP1MMP13MMP9EPHX2ADAM17
SCHEMBL21035075 0.81 MMP13 (0.45) 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