SCHEMBL19506112

SCHEMBL19506112

COC(=O)[C@@H]1CC(=O)CN1C(=O)c1c(O)cccc1OCOCC[Si](C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 3/20 0.35
▸ ANPEP P15144 3/20 0.35
▸ PTPN1 P18031 3/20 0.33
▸ GALR3 O60755 1/20 0.30
▸ NR2F2 P24468 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL20996813 0.85 POLB (0.32) MMP2ANPEP
SCHEMBL19475321 0.85 POLB (0.32) MMP2ANPEP
SCHEMBL19505918 0.81 CFTR (0.40) MMP2ANPEP
SCHEMBL19505986 0.81 PTPN1 (0.31) PTPN1
SCHEMBL19506111 0.76 PTPN1 (0.31) PTPN1
SCHEMBL19475763 0.73 NFKB1 (0.33) PTPN1
SCHEMBL19475762 0.73 NFKB1 (0.33) PTPN1
SCHEMBL19475132 0.71 GRM5 (0.42) —
SCHEMBL19475038 0.71 L3MBTL1 (0.45) —
SCHEMBL19505800 0.71 CA12 (0.41) PTPN1RAB9A

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-2017184558-A1 NOVEL PROMYSALIN ANALOGUES AND METHODS OF USE THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-10-26 — — WO disclosed
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