SCHEMBL16270301

SCHEMBL16270301

Cc1ccc(CC(N=C=O)C(=O)OCC(=O)OCOC(=O)COC(=O)C(Cc2ccc(OC#N)cc2)N=C=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 6/20 0.34
▸ LMNA P02545 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ PPARG P37231 2/20 0.33
▸ PPARA Q07869 2/20 0.33
▸ TDP1 Q9NUW8 4/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ LDHA P00338 1/20 0.32
▸ DPP4 P27487 2/20 0.31
▸ FAP Q12884 2/20 0.31
▸ DPP8 Q6V1X1 2/20 0.31
▸ DPP9 Q86TI2 2/20 0.31
▸ DPP7 Q9UHL4 2/20 0.31
▸ PSMB5 P28074 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL16270303 0.91 LMNA (0.33) L3MBTL1LMNAMAPTPPARGPPARA
SCHEMBL11921800 0.88 CYP3A4 (0.34) —
SCHEMBL16270304 0.86 LMNA (0.33) L3MBTL1LMNAMAPTPPARGPPARA
SCHEMBL16270302 0.85 TDP1 (0.35) L3MBTL1LMNAPPARGPPARATDP1
SCHEMBL16542991 0.85 EPHX2 (0.37) L3MBTL1PPARGPPARALDHADPP4
SCHEMBL11921778 0.83 LDHA (0.38) PPARGPPARALDHADPP4FAP
SCHEMBL18057033 0.81 MIF (0.43) PPARGPPARALDHADPP4FAP
SCHEMBL11921802 0.80 CYP3A4 (0.31) —
SCHEMBL16542993 0.79 LDHA (0.33) LDHADPP4FAPDPP8DPP9
SCHEMBL11921748 0.79 LDHA (0.39) LDHADPP4FAPDPP8DPP9

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-8901341-B2 Amino acid derivatives and absorbable polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2014-12-02 — — US disclosed
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