SCHEMBL5024800

SCHEMBL5024800

CC(=O)Nc1ccc(CC(N)C(=O)O)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 3/20 0.54
▸ PKM P14618 3/20 0.54
▸ POLB P06746 2/20 0.54
▸ ALOX15 P16050 2/20 0.54
▸ HIF1A Q16665 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ RECQL P46063 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ RGS12 O14924 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ CASP1 P29466 1/20 0.54
▸ BRCA1 P38398 1/20 0.54
▸ THPO P40225 1/20 0.54
▸ CASP7 P55210 1/20 0.54
▸ GNAI1 P63096 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54

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
SCHEMBL5024795 0.79 KDM4E (0.53) USP2PKMPOLBALOX15HIF1A
SCHEMBL30037334 0.79 SLC7A5 (0.61) USP2PKMPOLBALOX15HIF1A
SCHEMBL3059437 0.79 SLC7A5 (0.61) USP2PKMPOLBALOX15HIF1A
SCHEMBL4943107 0.79 SLC7A5 (0.61) USP2PKMPOLBALOX15HIF1A
SCHEMBL2855498 0.78 POLB (0.63) PKMPOLBKDM4ETDP1CYP3A4
SCHEMBL5024792 0.78 CYP3A4 (0.51) USP2PKMPOLBALOX15HIF1A
SCHEMBL2028058 0.77 KDM4E (0.62) USP2PKMPOLBALOX15HIF1A
SCHEMBL2028643 0.77 KDM4E (0.62) USP2PKMPOLBALOX15HIF1A
SCHEMBL2028640 0.77 KDM4E (0.62) USP2PKMPOLBALOX15HIF1A
SCHEMBL2679928 0.77 KDM4E (0.66) USP2PKMPOLBALOX15HIF1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012058325-A1 COMPOUNDS AND METHODS USEFUL FOR TREATMENT OF DISEASES MEDIATED BY HIF-1 ONCOTHYREON INC. (US) 2012-05-03 — — WO disclosed
WO-2011057220-A2 COMPOSITIONS AND METHODS FOR TREATING LYMPHOMA NORTHWESTERN UNIVERSITY (US) 2011-05-12 — — WO disclosed
Send feedback