SCHEMBL30002680

SCHEMBL30002680

CCC(=O)Oc1cc(CC)c(OC(=O)CC)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
ALOX15 P16050 2/20 0.44
KMT2A Q03164 5/20 0.41
GAA P10253 4/20 0.41
LMNA P02545 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ACHE P22303 2/20 0.40
ELANE P08246 1/20 0.40
MAPT P10636 3/20 0.38
PAX8 Q06710 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ESR1 P03372 2/20 0.37
HIF1A Q16665 2/20 0.37
RECQL P46063 1/20 0.36

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
SCHEMBL23271843 1.00 HTT (0.45) HTTALOX15KMT2AGAALMNA
SCHEMBL23271757 0.89 ALOX15 (0.48) HTTALOX15KMT2AGAALMNA
SCHEMBL30003360 0.89 ALOX15 (0.48) HTTALOX15KMT2AGAALMNA
SCHEMBL30003035 0.85 KMT2A (0.52) HTTALOX15KMT2ALMNAKDM4E
SCHEMBL23271696 0.85 KMT2A (0.52) HTTALOX15KMT2ALMNAKDM4E
SCHEMBL17688826 0.84 HTT (0.65) HTTALOX15KMT2AGAALMNA
SCHEMBL17688827 0.84 HTT (0.65) HTTALOX15KMT2AGAALMNA
SCHEMBL23271806 0.84 ALOX15 (0.50) HTTALOX15KMT2AKDM4ERECQL
SCHEMBL30004209 0.84 ALOX15 (0.50) HTTALOX15KMT2AKDM4ERECQL
SCHEMBL23271956 0.83 ALOX15 (0.49) ALOX15KMT2AKDM4ERECQL

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-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed