SCHEMBL29880939

SCHEMBL29880939

CC(C)CC(C(=O)O)n1c(-c2cccc(O)c2)nc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.48
HDAC1 Q13547 4/20 0.47
HDAC8 Q9BY41 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
CASR P41180 1/20 0.46
APAF1 O14727 1/20 0.42
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 3/20 0.41
TP53 P04637 3/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
PTGER4 P35408 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
NTSR1 P30989 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
ALPG P10696 1/20 0.39

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
SCHEMBL29880929 0.88 ALDH1A1 (0.46) HDAC1HDAC8HDAC6APAF1KDM4E
Cyclohexane Carboxamide SCHEMBL28819722 0.88 NR1H4 (0.44) MAPK10HDAC1HDAC8HDAC6CASR
SCHEMBL29881661 0.88 ALDH1A1 (0.47) HDAC1HDAC8HDAC6APAF1KDM4E
SCHEMBL29881606 0.85 CFTR (0.46) HDAC1HDAC8HDAC6APAF1KDM4E
SCHEMBL29880832 0.83 NR1H4 (0.56) KDM4EHSD17B10TP53MAPTMEN1
SCHEMBL29881017 0.83 NR1H4 (0.56) KDM4EHSD17B10TP53MAPTMEN1
SCHEMBL29880945 0.83 KDM4E (0.50) HDAC1HDAC8HDAC6APAF1KDM4E
SCHEMBL3571505 0.83 NR1H4 (0.64) MAPK10TP53NR1H4LMNARAB9A
SCHEMBL29881223 0.82 PTGER4 (0.45) HDAC1HDAC8HDAC6APAF1KDM4E
SCHEMBL29881716 0.82 KDM4E (0.44) HDAC1HDAC8HDAC6APAF1KDM4E

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
CN-110404073-B Methods and pharmaceutical compositions for treating hepatitis B virus infection 国家医疗保健研究所 2022-08-16 CN disclosed