SCHEMBL13629537

SCHEMBL13629537

CCCC[C@@H](C(=O)N1CCCC1c1ncc(C(C)(C)C)o1)[C@H](O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ DPP4 P27487 1/20 0.35
▸ FAP Q12884 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ ADAM17 P78536 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ PRCP P42785 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 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
SCHEMBL4218029 1.00 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AL3MBTL1DPP4
SCHEMBL4218024 1.00 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AL3MBTL1DPP4
SCHEMBL13615087 1.00 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AL3MBTL1DPP4
SCHEMBL13615077 0.90 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AL3MBTL1DPP4
SCHEMBL13615092 0.83 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AL3MBTL1DPP4
SCHEMBL13629201 0.83 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AL3MBTL1DPP4
SCHEMBL4226804 0.82 SCD5 (0.39) ALDH1A1MEN1KMT2AL3MBTL1DPP4
SCHEMBL4226802 0.82 SCD5 (0.39) ALDH1A1MEN1KMT2AL3MBTL1DPP4
SCHEMBL13615047 0.79 FAP (0.34) ALDH1A1MEN1KMT2AL3MBTL1DPP4
SCHEMBL18815570 0.77 RIPK1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1DPP4

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
US-7612059-B2 Pyrrolidine bicyclic compounds and its derivatives, compositions and methods of use VICURON PHARMACEUTICALS, INC. (US) 2009-11-03 — — US disclosed
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