SCHEMBL9301763

SCHEMBL9301763

N=C(N)NCCC[C@@](N)(C(=O)OCc1ccccc1)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.45
CTSB P07858 2/20 0.45
CTSS P25774 2/20 0.45
CTSK P43235 2/20 0.45
ITGB3 P05106 7/20 0.44
ITGA2B P08514 7/20 0.44
TGM2 P21980 1/20 0.43
TACR1 P25103 2/20 0.42
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
ITGAV P06756 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
SCHEMBL7540047 0.81 HTT (0.44) TGM2ALDH1A1
Hydrochloric Acid SCHEMBL9565026 0.80 HTT (0.43) TGM2ALDH1A1
Bromide SCHEMBL10633645 0.80 HTT (0.43) TGM2ALDH1A1
SCHEMBL1661018 0.78 CTSL (0.64) CTSL
SCHEMBL1660343 0.78 CTSL (0.64) CTSL
SCHEMBL10522605 0.78 SIRT5 (0.47) CTSLCTSBCTSSCTSKITGB3
SCHEMBL9551273 0.76 ITGB3 (0.62) CTSLCTSBCTSSCTSKITGB3
SCHEMBL10573113 0.75 SIRT2 (0.51) CTSLCTSSITGB3SIRT5ITGAV
SCHEMBL22540878 0.75 ITGB3 (0.73) ITGB3ITGA2BITGAV
SCHEMBL1661000 0.75 NPY4R (0.60) CTSLSIRT5

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
US-5312899-A Dermorphin analogs BIOCHEM PHARMA, INC. (CA) 1994-05-17 US disclosed