SCHEMBL29145161

SCHEMBL29145161

CCCCCCOC(=O)n1cnc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 5/20 0.62
KMT2A Q03164 6/20 0.48
TSHR P16473 4/20 0.48
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 1/20 0.48
HSD17B10 Q99714 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
TP53 P04637 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
BCHE P06276 1/20 0.44
HSP90AA1 P07900 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL8744445 1.00 ASAH1 (0.62) ASAH1KMT2ATSHRMAPTNPSR1
SCHEMBL29145133 0.99 ASAH1 (0.60) ASAH1KMT2ATSHRMAPTNPSR1
SCHEMBL722366 0.95 ASAH1 (0.57) ASAH1KMT2ATSHRMAPTNPSR1
SCHEMBL29145099 0.89 ASAH1 (0.53) ASAH1KMT2ATSHRMAPTNPSR1
SCHEMBL10504808 0.87 ASAH1 (0.47) ASAH1KMT2ATSHRMAPTNPSR1
SCHEMBL29145104 0.84 ALDH1A1 (0.55) ASAH1KMT2ATSHRMAPTMEN1
SCHEMBL29145145 0.80 SMN1; SMN2 (0.49) ASAH1KMT2AMAPTMEN1ALDH1A1
SCHEMBL13092515 0.80 ASAH1 (0.66) ASAH1KMT2AMAPTMEN1ALDH1A1
SCHEMBL13092517 0.80 ASAH1 (0.66) ASAH1KMT2AMAPTMEN1ALDH1A1
SCHEMBL10515420 0.79 TSHR (0.57) ASAH1KMT2ATSHRMAPTNPSR1

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-117430737-A Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2024-01-23 CN claimed