SCHEMBL23463558

SCHEMBL23463558

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

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.59
CTSC P53634 1/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
LMNA P02545 1/20 0.54
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53
ANPEP P15144 2/20 0.52
RNPEP Q9H4A4 2/20 0.52
DNPEP Q9ULA0 2/20 0.52
MME P08473 1/20 0.51

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
SCHEMBL22803631 1.00 LTA4H (0.59) LTA4HCTSCNPC1RAB9ALMNA
SCHEMBL22030240 0.93 LTA4H (0.56) LTA4HMME
SCHEMBL10135745 0.92 NPC1 (0.67) LTA4HCTSCNPC1RAB9ALMNA
SCHEMBL30573673 0.92 NPC1 (0.67) LTA4HCTSCNPC1RAB9ALMNA
SCHEMBL970530 0.92 NPC1 (0.67) LTA4HCTSCNPC1RAB9ALMNA
SCHEMBL18863565 0.87 CTSC (0.59) LTA4HCTSCALPIPKMPTGS1
SCHEMBL22028176 0.86 OPRD1 (0.56) LTA4H
SCHEMBL24115124 0.86 OPRD1 (0.56) LTA4H
SCHEMBL26222777 0.86 CTSC (0.58) LTA4HCTSCNPC1RAB9ALMNA
SCHEMBL5745774 0.86 CTSC (0.58) LTA4HCTSCNPC1RAB9ALMNA

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
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