SCHEMBL17145346

SCHEMBL17145346

CC(=O)c1cc2c(OC(=O)C(C)C)c3ccccc3c(OC(=O)C(C)C)c2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.46
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
STAT3 P40763 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
ALOX15 P16050 1/20 0.37
GAA P10253 3/20 0.36
MAPT P10636 4/20 0.35
HSD17B10 Q99714 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
ELANE P08246 1/20 0.35
POLB P06746 1/20 0.35
ALOX12 P18054 1/20 0.35
KDM4C Q9H3R0 1/20 0.35

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
SCHEMBL12526832 0.93 KLKB1 (0.41) KLKB1LMNARECQLSTAT3ALDH1A1
SCHEMBL12527554 0.91 KLKB1 (0.43) KLKB1LMNARECQLSTAT3ALDH1A1
SCHEMBL20089233 0.90 LMNA (0.37) KLKB1LMNARECQLSTAT3ALDH1A1
Hydrochloric Acid SCHEMBL29879996 0.88 LMNA (0.36) KLKB1LMNARECQLSTAT3ALDH1A1
SCHEMBL12525445 0.88 PDE4A (0.38) KLKB1LMNARECQLSTAT3ALDH1A1
SCHEMBL12493926 0.86 MAPT (0.48) LMNARECQLSTAT3ALDH1A1PDE4A
SCHEMBL12494851 0.81 LMNA (0.39) LMNARECQLSTAT3ALDH1A1PDE4A
SCHEMBL18123828 0.81 LMNA (0.39) LMNARECQLSTAT3ALDH1A1PDE4A
SCHEMBL29879933 0.81 KDM4E (0.46) ALDH1A1GAAMAPTKMT2AKDM4E
SCHEMBL20095064 0.81 KDM4E (0.46) ALDH1A1GAAMAPTKMT2AKDM4E

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
WO-2017079864-A1 TREATMENT OF CANCERS RELATED TO CHRONICALLY ACTIVE RAS HANGZHOU YIER BIOTECH CO., LTD. (CN) 2017-05-18 WO disclosed
US-9150530-B2 Esters of 4, 9-dihydroxy-naphtho [2, 3-b] furans for disease therapies ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2015-10-06 US disclosed
US-9150530-B2 Esters of 4, 9-dihydroxy-naphtho [2, 3-b] furans for disease therapies ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2015-10-06 US disclosed