SCHEMBL29204697

SCHEMBL29204697

COC(=O)c1ccc(C(=O)OC)c(NCCCCl)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 17/20 0.57
HSD17B10 Q99714 7/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALDH1A1 P00352 15/20 0.55
HPGD P15428 5/20 0.55
MAPT P10636 5/20 0.55
KMT2A Q03164 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 2/20 0.51
GAA P10253 5/20 0.50
GLA P06280 3/20 0.50
TSHR P16473 2/20 0.49
ATM Q13315 3/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
MEN1 O00255 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL22097710 0.87 KDM4E (0.64) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL28875089 0.84 KDM4E (0.61) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL28618228 0.81 KDM4E (0.69) KDM4EHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL22097615 0.80 KDM4E (0.66) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL22097618 0.77 PLK1 (0.55) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL20529743 0.75 KDM4E (0.56) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL15242597 0.75 KDM4E (0.66) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL30234832 0.75 KDM4E (0.66) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL9402438 0.73 MAPT (0.67) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL14513124 0.72 ALDH1A1 (0.77) KDM4EHSD17B10ALDH1A1HPGDMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986511-A Quaternary ammonium type covalent organic framework compound and preparation method of anion exchange membrane thereof 大连理工大学 2024-05-07 CN claimed
CN-117986511-A Quaternary ammonium type covalent organic framework compound and preparation method of anion exchange membrane thereof 大连理工大学 2024-05-07 CN disclosed