SCHEMBL14527837

SCHEMBL14527837

CN[C@@H](CS)C(=O)N[C@H](C=O)[C@@H](C)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ THPO P40225 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PAX8 Q06710 1/20 0.33
▸ MMP1 P03956 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
SCHEMBL15730967 0.80 FOLH1 (0.39) —
SCHEMBL17992737 0.77 PAX8 (0.31) PAX8
SCHEMBL24588345 0.72 PAX8 (0.37) PAX8
SCHEMBL19934757 0.72 ACE (0.43) ACEKDM4EMAPTTHRBALOX15
SCHEMBL13436818 0.71 ALDH1A1 (0.38) MAPTMMP1
SCHEMBL21135087 0.71 BMP1 (0.46) ACEKDM4EMAPTTHRBALOX15
SCHEMBL19934701 0.71 BMP1 (0.46) ACEKDM4EMAPTTHRBALOX15
SCHEMBL21134710 0.71 BMP1 (0.46) ACEKDM4EMAPTTHRBALOX15
SCHEMBL21153275 0.71 BMP1 (0.46) ACEKDM4EMAPTTHRBALOX15
SCHEMBL24581091 0.71 PAX8 (0.50) PAX8

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
EP-1085896-B1 CONFORMATIONALLY CONSTRAINED BACKBONE CYCLIZED SOMATOSTATIN ANALOGS DEVELOGEN ISRAEL LTD (IL) 2007-05-16 — — EP disclosed
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