SCHEMBL7493265

SCHEMBL7493265

CCCC(=O)OCCc1nccc(N2C[C@H]3CC2CN3S(=O)(=O)c2ccc(Br)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ MMP7 P09237 15/20 0.37
▸ MMP1 P03956 9/20 0.37
▸ MMP3 P08254 9/20 0.37
▸ MMP2 P08253 3/20 0.37
▸ MMP13 P45452 5/20 0.37
▸ HSD11B1 P28845 2/20 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
SCHEMBL6293171 1.00 ALDH1A1 (0.40) ALDH1A1MMP7MMP1MMP3MMP2
SCHEMBL6294427 0.75 MCHR1 (0.40) —
SCHEMBL6293450 0.74 SORD (0.42) HSD11B1
SCHEMBL6293205 0.69 SORD (0.39) ALDH1A1
SCHEMBL7489299 0.69 SORD (0.53) —
SCHEMBL6293393 0.69 SORD (0.42) HSD11B1
SCHEMBL6586369 0.69 HRH3 (0.43) —
SCHEMBL6294566 0.67 SORD (0.39) ALDH1A1
SCHEMBL6294479 0.67 SORD (0.46) —
SCHEMBL6297889 0.66 SORD (0.41) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1185275-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS Pfizer Products Inc. (US) 2002-03-13 — — EP disclosed
WO-2000059510-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-10-12 — — WO disclosed
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