SCHEMBL20097951

SCHEMBL20097951

CC(C)C[C@H](NC(=O)C(Cc1cccc2ccccc12)NC(=O)[C@@H]1CCCN1C(C)C)B(O)O

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 18/20 0.54
▸ PSMB1 P20618 3/20 0.44
▸ PSMB2 P49721 2/20 0.44
▸ TACR1 P25103 1/20 0.44

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
SCHEMBL14756691 1.00 PSMB5 (0.54) PSMB5PSMB1PSMB2TACR1
SCHEMBL14756681 1.00 PSMB5 (0.54) PSMB5PSMB1PSMB2TACR1
SCHEMBL16024731 0.91 PSMB5 (0.55) PSMB5PSMB1PSMB2
SCHEMBL16024773 0.91 PSMB5 (0.55) PSMB5PSMB1PSMB2
SCHEMBL24091270 0.89 PSMB5 (0.54) PSMB5PSMB1PSMB2
SCHEMBL24091220 0.85 PSMB5 (0.49) PSMB5PSMB1PSMB2
SCHEMBL16024753 0.80 PSMB5 (0.46) PSMB5TACR1
Hydrochloric Acid SCHEMBL31238304 0.78 PSMB5 (0.68) PSMB5PSMB1PSMB2
SCHEMBL1432145 0.77 TACR1 (0.46) TACR1
SCHEMBL26211758 0.76 OPRD1 (0.49) TACR1

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-9956297-B2 FAP-activated proteasome inhibitors for treating solid tumors TRUSTEES OF TUFTS COLLEGE (US) 2018-05-01 — — US disclosed
Send feedback