SCHEMBL6231988

SCHEMBL6231988

COc1c(C(C)=O)cccc1C1OCCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.39
LMNA P02545 4/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
DRD2 P14416 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR2 P34972 1/20 0.34
NPC1 O15118 6/20 0.34
RAB9A P51151 6/20 0.34
ATM Q13315 1/20 0.34
MAPT P10636 2/20 0.33
PIN1 Q13526 1/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 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
SCHEMBL30822021 0.78 KMT2A (0.35) SMN1; SMN2LMNAALDH1A1KDM4EDRD2
SCHEMBL28710222 0.76 SMN1; SMN2 (0.46) SMN1; SMN2LMNAALDH1A1KDM4EHSD17B10
SCHEMBL18085976 0.76 NPC1 (0.37) SMN1; SMN2ALDH1A1MEN1KMT2ANPC1
SCHEMBL5609138 0.72 PDE4B (0.36) LMNAKDM4ENPC1RAB9A
SCHEMBL18739643 0.71 HSD17B10 (0.55) SMN1; SMN2LMNAALDH1A1KDM4EHSD17B10
SCHEMBL9021346 0.71 ALDH1A1 (0.38) SMN1; SMN2LMNAALDH1A1KDM4EHSD17B10
SCHEMBL18555663 0.70 KDM4E (0.41) SMN1; SMN2LMNAALDH1A1KDM4EMEN1
SCHEMBL24719504 0.70 SMN1; SMN2 (0.45) SMN1; SMN2LMNAALDH1A1KDM4EPOLB
SCHEMBL29931828 0.70 NPC1 (0.58) SMN1; SMN2LMNAALDH1A1KDM4EHSD17B10
SCHEMBL341046 0.70 NPC1 (0.58) SMN1; SMN2LMNAALDH1A1KDM4EHSD17B10

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