SCHEMBL6232464

SCHEMBL6232464

COc1ccc(C2OCCO2)cc1C(=O)N(C)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 2/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KDM1A O60341 3/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 1/20 0.36
LPAR5 Q9H1C0 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
PDE4B Q07343 1/20 0.34
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL6234654 0.82 ALDH1A1 (0.48) NPC1RAB9AATMKDM4EALDH1A1
SCHEMBL8577030 0.75 ACHE (0.47) KDM4EALDH1A1LMNAHSD17B10TSHR
SCHEMBL4833864 0.74 MAPT (0.58) RAB9AATMKDM4EALDH1A1LMNA
SCHEMBL18288113 0.73 ALDH1A1 (0.58) RAB9AALDH1A1PDE4BMAPK1
SCHEMBL6270450 0.73 ALDH1A1 (0.50) KDM4EALDH1A1LMNAHSD17B10MAPT
SCHEMBL5623892 0.73 TSHR (0.57) NPC1RAB9AALDH1A1LMNAHSD17B10
SCHEMBL6231731 0.73 ALDH1A1 (0.46) NPC1RAB9AATMKDM4EALDH1A1
SCHEMBL20529338 0.72 NPC1 (0.47) NPC1RAB9AATMKDM4EALDH1A1
SCHEMBL11102767 0.72 NR3C1 (0.62) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL15372462 0.72 TUBB4A (0.56) NPC1RAB9AATMALDH1A1LMNA

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
EP-1213287-B1 SUBSTITUTED BENZYLTHIAZOLIDINE-2,4-DIONE DERIVATIVES KYORIN SEIYAKU KK (JP) 2005-05-25 EP disclosed
US-6730687-B1 THERAPY OF METABOLIC DISEASES SUCH AS DIABETES AND HYPERLIPIDEMIA AS AGONISTS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 US disclosed
EP-1213287-A1 SUBSTITUTED BENZYLTHIAZOLIDINE-2,4-DIONE DERIVATIVES KYORIN PHARMACEUTICAL CO., LTD. (JP) 2002-06-12 EP disclosed