SCHEMBL11892929

SCHEMBL11892929

CC(=O)Nc1ccc(-c2cccc(CNC(=O)CNC(=O)OC(C)(C)C)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 4/20 0.49
▸ HDAC1 Q13547 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CTSB P07858 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ CYP17A1 P05093 2/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ CREBBP Q92793 1/20 0.42
▸ GLS O94925 3/20 0.42
▸ MAPK14 Q16539 2/20 0.42
▸ ROCK2 O75116 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ NPFFR1 Q9GZQ6 1/20 0.41
▸ NPFFR2 Q9Y5X5 1/20 0.41

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
SCHEMBL11892923 0.86 PTPN1 (0.47) AOC3HDAC1NAMPTPTPN1CYP17A1
SCHEMBL11892918 0.85 HDAC1 (0.53) AOC3HDAC1CTSBCTSSCTSK
SCHEMBL11892924 0.84 NAMPT (0.52) AOC3HDAC1NAMPTROCK2NPFFR1
SCHEMBL11892915 0.83 CTSS (0.50) AOC3HDAC1CTSBCTSSCTSK
SCHEMBL11360023 0.82 AOC3 (0.69) AOC3MAPK14
SCHEMBL27118264 0.82 HDAC1 (0.48) AOC3HDAC1CTSBCTSSCTSK
SCHEMBL30504293 0.81 HDAC1 (0.56) AOC3HDAC1CTSBCTSSCTSK
SCHEMBL3507808 0.79 BRD4 (0.53) NAMPTPTPN1BRD4GLSROCK2
SCHEMBL18664426 0.79 HDAC1 (0.60) AOC3HDAC1CTSBCTSSCTSK
SCHEMBL11892904 0.79 AOC3 (0.52) AOC3HDAC1CTSBCTSSCTSK

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-2479165-A1 GLYCINE COMPOUND Astellas Pharma Inc. (JP) 2012-07-25 — — EP disclosed
Send feedback