SCHEMBL3854680

SCHEMBL3854680

CC(C)CCNC[C@H](NC(=O)c1cccc(-c2cccnc2)c1)[C@@H](O)C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
KMO O15229 1/20 0.43
CTSL P07711 4/20 0.42
CTSS P25774 4/20 0.42
CTSB P07858 3/20 0.42
CTSV O60911 1/20 0.42
SUCNR1 Q9BXA5 2/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCR2 P41597 1/20 0.41
LMNA P02545 1/20 0.41
DYRK1A Q13627 1/20 0.39
NTSR1 P30989 1/20 0.39
EGFR P00533 1/20 0.39
ERN1 O75460 1/20 0.39
PTAFR P25105 2/20 0.38
GPR132 Q9UNW8 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL606551 0.77 CTSL (0.48) KMOCTSLCTSSCTSBCTSV
SCHEMBL1399704 0.73 KMO (0.67) KMOSUCNR1CDK4CCND1EGFR
SCHEMBL606550 0.71 CTSL (0.46) KMOCTSLCTSSCTSBCTSV
SCHEMBL14507768 0.69 MKNK1 (0.72) KMOCDK4CCND1EGFR
SCHEMBL13626336 0.68 KMO (0.61) KMOCTSLCTSSCTSBCTSV
SCHEMBL3174593 0.68 PSMB5 (0.57) KMOCTSLCTSSCTSBCTSV
Hydrochloric Acid SCHEMBL1326503 0.67 PSMB5 (0.56) CTSLCTSSCTSBCTSVCTSK
SCHEMBL13188259 0.67 KMO (0.69) KMOCDK4CCND1
SCHEMBL12191038 0.67 XDH (0.49) KMOCTSLCTSSCTSBCTSV
SCHEMBL607084 0.67 NPC1 (0.53) CTSLCTSSCTSBCTSVLMNA

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-7576206-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2009-08-18 US disclosed