SCHEMBL23463561

SCHEMBL23463561

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.58
CAPN1 P07384 2/20 0.55
LTA4H P09960 1/20 0.54
CTSC P53634 1/20 0.52
CTSK P43235 1/20 0.49
ANPEP P15144 2/20 0.48
RNPEP Q9H4A4 2/20 0.48
DNPEP Q9ULA0 2/20 0.48
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
MME P08473 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
SCHEMBL24115064 0.94 CTSB (0.53) CTSBCAPN1LTA4H
SCHEMBL17705377 0.92 CTSB (0.56) CTSBCAPN1LTA4HCTSKMME
SCHEMBL8260887 0.89 CTSB (0.65) CTSBCAPN1LTA4HCTSKANPEP
SCHEMBL3487670 0.89 CTSB (0.65) CTSBCAPN1LTA4HCTSKANPEP
SCHEMBL22028219 0.88 OPRD1 (0.54) CTSBLTA4H
SCHEMBL22030225 0.88 OPRD1 (0.54) CTSBLTA4H
SCHEMBL22030230 0.88 OPRD1 (0.54) CTSBLTA4H
SCHEMBL20669262 0.88 OPRD1 (0.54) CTSBLTA4H
SCHEMBL20204691 0.87 CTSC (0.58) CTSBCAPN1LTA4HCTSCALPI
SCHEMBL20204693 0.87 CTSC (0.58) CTSBCAPN1LTA4HCTSCALPI

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-2022022360-A1 POLYETHYLENE GLYCOL CONJUGATE DRUG, AND PREPARATION METHOD THERFOR AND USE THEREOF 重庆阿普格雷生物科技有限公司 2022-02-03 WO disclosed
WO-2021103342-A1 POLYETHYLENE GLYCOL CONJUGATED DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF 重庆阿普格雷生物科技有限公司 2021-06-03 WO disclosed