SCHEMBL7988007

SCHEMBL7988007

C=CCCCN(C)C(=O)[C@H](Cc1cccc(SCc2ccccc2)c1)NC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
MMP9 P14780 2/20 0.36
MMP8 P22894 2/20 0.36
MMP14 P50281 1/20 0.36
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
NPY2R P49146 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 2/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
TSHR P16473 1/20 0.33
AVPR1B P47901 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL7986628 0.87 MMP2 (0.42) MMP8
SCHEMBL7990395 0.85 SLC6A4 (0.39) NPY2RPPARGPPARA
SCHEMBL7993921 0.78 ALDH1A1 (0.39) RAB9AMEN1KMT2A
SCHEMBL7993920 0.78 ALDH1A1 (0.39) RAB9AMEN1KMT2A
SCHEMBL7989529 0.75 MMP9 (0.52) MMP9MMP8MMP14MEN1KMT2A
SCHEMBL7989539 0.75 MMP9 (0.52) MMP9MMP8MMP14MEN1KMT2A
SCHEMBL7989431 0.74 MMP9 (0.51) RAB9AMMP9MMP8MEN1KMT2A
SCHEMBL7989427 0.74 MMP9 (0.51) RAB9AMMP9MMP8MEN1KMT2A
SCHEMBL7988005 0.73 TACR1 (0.40)
SCHEMBL7976201 0.71 TACR1 (0.59) MMP9MMP8MMP14

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-2001040198-A2 MACROCYCLIC HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-06-07 WO disclosed