SCHEMBL11892904

SCHEMBL11892904

CC(C)(C)OC(=O)NCC(=O)NCc1cccc(-c2ccc(N3CCOCC3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 5/20 0.52
▸ SRC P12931 1/20 0.51
▸ ERCC1 P07992 1/20 0.46
▸ ERCC4 Q92889 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ NPFFR1 Q9GZQ6 1/20 0.42
▸ NPFFR2 Q9Y5X5 1/20 0.42
▸ BRD4 O60885 1/20 0.41
▸ CREBBP Q92793 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.41
▸ HDAC1 Q13547 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
SCHEMBL16785090 0.93 AOC3 (0.56) AOC3SRCERCC1ERCC4KDM4E
SCHEMBL11892878 0.88 SRC (0.49) AOC3SRCAKT1
SCHEMBL11360172 0.84 AOC3 (0.69) AOC3
SCHEMBL11892918 0.81 HDAC1 (0.53) AOC3SRCCTSBCTSSCTSK
SCHEMBL11427269 0.80 AOC3 (0.64) AOC3SRCERCC1ERCC4MRGPRX4
SCHEMBL11892906 0.80 AOC3 (0.59) AOC3SRC
SCHEMBL16784888 0.80 AOC3 (0.59) AOC3SRCBRD4CREBBP
SCHEMBL11892915 0.79 CTSS (0.50) AOC3ERCC1ERCC4CTSLCTSB
SCHEMBL11892929 0.79 AOC3 (0.49) AOC3CTSBCTSSCTSKNPFFR1
SCHEMBL13007739 0.79 SMN1; SMN2 (0.53) ERCC1ERCC4KDM4EMAPTGAA

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
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