SCHEMBL24399522

SCHEMBL24399522

N[C@H]1CC(=O)c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.52
ALDH1A1 P00352 1/20 0.41
ADORA3 P0DMS8 2/20 0.40
AR P10275 2/20 0.40
HSD11B1 P28845 1/20 0.40
AKR1C3 P42330 1/20 0.40
HTR2A P28223 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR2B P41595 1/20 0.39
ANPEP P15144 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP19A1 P11511 1/20 0.38
MAOB P27338 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BCHE P06276 2/20 0.37

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
SCHEMBL14855914 0.94 S100A4 (0.53) S100A4ALDH1A1ADORA3ARHSD11B1
SCHEMBL1989836 0.94 S100A4 (0.53) S100A4ALDH1A1ADORA3ARHSD11B1
SCHEMBL15129175 0.94 S100A4 (0.53) S100A4ALDH1A1ADORA3ARHSD11B1
Hydrochloric Acid SCHEMBL1987878 0.92 S100A4 (0.52) S100A4ALDH1A1ADORA3ARHSD11B1
Hydrochloric Acid SCHEMBL1995427 0.92 S100A4 (0.52) S100A4ALDH1A1ADORA3ARHSD11B1
SCHEMBL3738477 0.81 S100A4 (0.64) S100A4ALDH1A1ADORA3ARLMNA
SCHEMBL4748664 0.77 HTR2A (0.58) HTR2AANPEPACHE
SCHEMBL1162887 0.73 ANPEP (0.43) S100A4ANPEPMAOBMAOA
SCHEMBL1265255 0.73 ANPEP (0.43) S100A4ANPEPMAOBMAOA
SCHEMBL18761356 0.73 ANPEP (0.43) S100A4ANPEPMAOBMAOA

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-2022090523-A1 CHIRAL POLYMERS AND USE THEREOF CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2022-05-05 WO disclosed