SCHEMBL8926560

SCHEMBL8926560

[CH2]c1ccccc1OC(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
HSD17B10 Q99714 2/20 0.59
HPGD P15428 1/20 0.59
ALDH1A1 P00352 2/20 0.40
SLC6A3 Q01959 1/20 0.40
ACHE P22303 1/20 0.40
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
JAK2 O60674 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 3/20 0.38
CTSD P07339 1/20 0.38
TSHR P16473 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL11925422 0.85 KDM4E (0.70) KDM4EHSD17B10HPGDALDH1A1SLC6A3
SCHEMBL8026288 0.79 TSHR (0.44) KDM4EHSD17B10HPGDALDH1A1MAPT
SCHEMBL982771 0.79 HSD17B10 (0.63) KDM4EHSD17B10HPGDALDH1A1MTNR1A
SCHEMBL87637 0.79 PTGS2 (0.57) KDM4EHSD17B10HPGDALDH1A1ACHE
SCHEMBL6254697 0.79 KDM4E (0.63) KDM4EHSD17B10HPGDALDH1A1SLC6A3
SCHEMBL6626169 0.78 ELANE (0.46) KDM4EHSD17B10HPGDALDH1A1ACHE
SCHEMBL8927725 0.78 ACHE (0.59) KDM4EHSD17B10HPGDALDH1A1ACHE
SCHEMBL6623023 0.78 ELANE (0.46) KDM4EHSD17B10HPGDALDH1A1ACHE
SCHEMBL8927620 0.78 NCEH1 (0.51) ALDH1A1KMT2ATSHRLMNA
SCHEMBL19581919 0.78 HSD17B10 (0.41) KDM4EHSD17B10HPGDALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5614498-A OLIGOPEPTIDES, BRONCHDILATORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-03-25 US disclosed
US-5496928-A Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-03-05 US disclosed
EP-0555537-A2 Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-18 EP disclosed