SCHEMBL526417

SCHEMBL526417

O=C(O)C(O)C(O)C(=O)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ELANE P08246 2/20 0.44
TDP1 Q9NUW8 2/20 0.42
SLC1A3 P43003 1/20 0.42
TSHR P16473 1/20 0.42
ALOX15 P16050 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSP90AA1 P07900 1/20 0.39
GAA P10253 1/20 0.39
NSD2 O96028 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
MARK4 Q96L34 1/20 0.38

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
SCHEMBL13517020 0.94 ATM (0.53) ATML3MBTL1ELANETDP1SLC1A3
SCHEMBL526418 0.94 ATM (0.53) ATML3MBTL1ELANETDP1SLC1A3
Guanidine SCHEMBL10882668 0.91 ATM (0.42) ATML3MBTL1ELANETDP1SLC1A3
SCHEMBL27686554 0.84 ELANE (0.40) ELANETDP1TSHRMAPTKDM4E
SCHEMBL9854114 0.82 LMNA (0.52) L3MBTL1ELANELMNAALDH1A1GAA
SCHEMBL4322254 0.82 LMNA (0.52) L3MBTL1ELANELMNAALDH1A1GAA
SCHEMBL3632858 0.82 LMNA (0.52) L3MBTL1ELANELMNAALDH1A1GAA
SCHEMBL7869800 0.82 KMT2A (0.56) L3MBTL1TDP1HSD17B10MAPTALDH1A1
SCHEMBL27705573 0.82 CYP3A4 (0.54) ATML3MBTL1HSD17B10LMNAALDH1A1
SCHEMBL7869801 0.82 KMT2A (0.56) L3MBTL1TDP1HSD17B10MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598160-A2 STABILIZATION OF FSH Ferring BV (NL) 2013-06-05 EP disclosed
CN-101823970-B Synthetic method of rivastigmine and intermediates thereof JIANGSU NHWA PHARMACEUTICAL CO LTD 2013-05-08 CN disclosed
WO-2012013742-A2 STABILIZATION OF FSH FERRING B.V. (NL) 2012-02-02 WO disclosed
CN-101823970-A Synthetic method of rivastigmine and intermediates thereof JIANGSU NHWA PHARMACEUTICAL CO LTD 2010-09-08 CN disclosed
US-5763490-A ADMINISTERING AN ENZYME INHIBITOR TO INHIBIT PROSTATIC ACID PHOSPHATASE UNIVERSITY OF SOUTH CAROLINA (US) 1998-06-09 US disclosed