SCHEMBL29145133

SCHEMBL29145133

CCCCCOC(=O)n1cnc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 5/20 0.60
KMT2A Q03164 6/20 0.49
TSHR P16473 4/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
BCHE P06276 1/20 0.45

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 0.99 ASAH1 (0.62) ASAH1KMT2ATSHRMEN1MAPT
SCHEMBL29145161 0.99 ASAH1 (0.62) ASAH1KMT2ATSHRMEN1MAPT
SCHEMBL722366 0.96 ASAH1 (0.57) ASAH1KMT2ATSHRMEN1MAPT
SCHEMBL29145099 0.90 ASAH1 (0.53) ASAH1KMT2ATSHRMEN1MAPT
SCHEMBL10504808 0.86 ASAH1 (0.47) ASAH1KMT2ATSHRMEN1MAPT
SCHEMBL29145104 0.86 ALDH1A1 (0.55) ASAH1KMT2ATSHRMEN1MAPT
SCHEMBL29145145 0.81 SMN1; SMN2 (0.49) ASAH1KMT2AMEN1MAPTRAB9A
SCHEMBL20522520 0.80 SMN1; SMN2 (0.51) ASAH1KMT2AMEN1MAPTRAB9A
SCHEMBL28599394 0.78 SMN1; SMN2 (0.46) ASAH1KMT2AMEN1MAPTRAB9A
SCHEMBL17165904 0.78 LMNA (0.52) ASAH1KMT2ATSHRMEN1MAPT

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