SCHEMBL1662059

SCHEMBL1662059

CN(C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 5/20 0.54
▸ CASP3 P42574 2/20 0.53
▸ CASP1 P29466 1/20 0.53
▸ CASP9 P55211 1/20 0.53
▸ CTSB P07858 3/20 0.53
▸ CTSS P25774 3/20 0.53
▸ CTSK P43235 3/20 0.53
▸ APC P25054 3/20 0.52
▸ CASP7 P55210 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ CAPN1 P07384 1/20 0.47
▸ TACR1 P25103 2/20 0.46
▸ MME P08473 2/20 0.46
▸ ECE1 P42892 2/20 0.46

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
SCHEMBL1663151 0.89 CTSL (0.44) CTSLCASP3CASP1CASP9CTSB
SCHEMBL1662080 0.89 BACE1 (0.49) —
SCHEMBL1660926 0.89 CTSL (0.56) CTSLCASP3CASP1CASP9CTSB
SCHEMBL1661910 0.86 CTSL (0.65) CTSLCASP3CASP1CASP9CTSB
SCHEMBL1661176 0.86 CTSL (0.65) CTSLCASP3CASP1CASP9CTSB
SCHEMBL1661066 0.84 AVPR1A (0.44) —
SCHEMBL2873941 0.83 MME (0.63) CTSLCASP3CASP1CASP9CTSB
SCHEMBL14778231 0.83 MME (0.63) CTSLCASP3CASP1CASP9CTSB
SCHEMBL19252727 0.83 FOLH1 (0.47) CTSLCASP3CASP1CASP9CTSB
SCHEMBL1663148 0.83 APC (0.51) CTSLCASP3CASP1CASP9CTSB

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-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 — — WO claimed
WO-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 — — WO disclosed
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