SCHEMBL11375452

SCHEMBL11375452

CCOC(=O)Cc1cc(OCBr)c(OC)cc1C(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 10/20 0.46
▸ GAA P10253 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL30575737 0.91 DPP4 (0.50) DPP4GAAALDH1A1KMT2ALMNA
SCHEMBL11377134 0.91 DPP4 (0.50) DPP4GAAALDH1A1KMT2ALMNA
SCHEMBL31609504 0.84 DPP4 (0.45) DPP4GAAALDH1A1KMT2ALMNA
SCHEMBL31609590 0.81 DPP4 (0.41) DPP4GAAALDH1A1KMT2ALMNA
SCHEMBL25387590 0.81 HSD17B2 (0.51) DPP4GAAALDH1A1KMT2ALMNA
SCHEMBL31609615 0.81 DPP4 (0.41) DPP4ALDH1A1KMT2ALMNAMAPT
SCHEMBL25387292 0.81 DPP4 (0.43) DPP4GAAALDH1A1KMT2ALMNA
SCHEMBL30575766 0.81 DPP4 (0.43) DPP4GAAALDH1A1KMT2ALMNA
SCHEMBL8589287 0.81 KMT2A (0.49) DPP4GAAALDH1A1KMT2ALMNA
SCHEMBL13469397 0.79 KMT2A (0.53) DPP4GAAALDH1A1KMT2ALMNA

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-4273773-A IN COMBINATION WITH A DIURETIC AMERICAN HOME PRODUCTS CORPORATION (US) 1981-06-16 — — US disclosed
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