SCHEMBL11892915

SCHEMBL11892915

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 6/20 0.50
▸ CTSK P43235 5/20 0.50
▸ CTSB P07858 3/20 0.50
▸ AOC3 Q16853 3/20 0.47
▸ CHRM3 P20309 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ BRD4 O60885 1/20 0.42
▸ CREBBP Q92793 1/20 0.42
▸ PPARA Q07869 1/20 0.41
▸ GLS O94925 1/20 0.41
▸ ERCC1 P07992 1/20 0.41
▸ ERCC4 Q92889 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ CTSL P07711 2/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL12285431 0.85 EPHX2 (0.52) CTSSCTSKPPARA
SCHEMBL11892918 0.85 HDAC1 (0.53) CTSSCTSKCTSBAOC3HDAC1
SCHEMBL11892929 0.83 AOC3 (0.49) CTSSCTSKCTSBAOC3HDAC1
SCHEMBL11356388 0.82 CTSB (0.48) CTSSCTSKCTSBAOC3CTSL
SCHEMBL27118264 0.82 HDAC1 (0.48) CTSSCTSKCTSBAOC3HDAC1
SCHEMBL30504293 0.81 HDAC1 (0.56) CTSSCTSKCTSBAOC3HDAC1
SCHEMBL18664430 0.80 PPARA (0.56) CTSSCTSKHDAC1PPARA
SCHEMBL352314 0.79 ERCC1 (0.52) CTSSCTSKCTSBBRD4CREBBP
SCHEMBL18664426 0.79 HDAC1 (0.60) CTSSCTSKCTSBAOC3HDAC1
SCHEMBL11892904 0.79 AOC3 (0.52) CTSSCTSKCTSBAOC3HDAC1

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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