SCHEMBL23091304

SCHEMBL23091304

CCCCC(=O)NC(CC(C)C)C(=O)NC(C=O)Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 7/20 0.64
CTSB P07858 4/20 0.55
CTSK P43235 3/20 0.53
FAAH O00519 2/20 0.49
CTSL P07711 2/20 0.49
CTSH P09668 1/20 0.49
CAPN1 P07384 1/20 0.47
KISS1R Q969F8 1/20 0.47
CMA1 P23946 1/20 0.47
CTRC Q99895 1/20 0.47
PSMB1 P20618 1/20 0.47
PSMB2 P49721 1/20 0.47

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
SCHEMBL9641489 0.91 CTSB (0.55) PSMB5CTSBCTSLCAPN1CMA1
SCHEMBL9642155 0.86 CTSK (0.59) PSMB5CTSBCTSKCTSLCTSH
SCHEMBL20204723 0.85 CTSB (0.63) PSMB5CTSBCTSLCMA1CTRC
SCHEMBL5572956 0.85 CTSB (0.63) PSMB5CTSBCTSLCMA1CTRC
SCHEMBL20204725 0.85 CTSB (0.63) PSMB5CTSBCTSLCMA1CTRC
SCHEMBL13706577 0.82 CTSB (0.61) PSMB5CTSBCTSLCMA1CTRC
SCHEMBL7144589 0.82 CTSB (0.61) PSMB5CTSBCTSLCMA1CTRC
SCHEMBL8259852 0.81 CTSB (0.62) PSMB5CTSBCTSLCMA1CTRC
SCHEMBL13933704 0.81 CTSB (0.62) PSMB5CTSBCTSKCTSLCAPN1
SCHEMBL10890377 0.81 FAAH (0.60) PSMB5CTSBCTSKFAAHCTSL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11241398-B2 Affinity medicant conjugate AF CHEMICALS, LLC (US) 2022-02-08 US disclosed
US-11135182-B2 Affinity medicant conjugates AF CHEMICALS, LLC (US) 2021-10-05 US disclosed
US-20210077425-A1 AFFINITY MEDICANT CONJUGATE AF CHEMICALS, LLC (US) 2021-03-18 US disclosed