SCHEMBL7463516

SCHEMBL7463516

CCOC(=O)CC(=O)c1cccc([N+](=O)[O-])c1OC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 7/20 0.46
GAA P10253 2/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GLA P06280 1/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL6985762 0.88 TSHR (0.57) SMN1; SMN2TSHRALDH1A1GAAMAPK1
SCHEMBL30736569 0.85 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1GAAKMT2AKDM4E
SCHEMBL954897 0.85 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1GAAKMT2AKDM4E
SCHEMBL5427764 0.84 ALDH1A1 (0.53) SMN1; SMN2TSHRALDH1A1GAAMAPK1
SCHEMBL29165513 0.84 TSHR (0.50) SMN1; SMN2TSHRALDH1A1KMT2AKDM4E
SCHEMBL9806499 0.83 ALDH1A1 (0.47) SMN1; SMN2TSHRALDH1A1GAAMAPK1
SCHEMBL2666954 0.80 KDM4E (0.58) SMN1; SMN2ALDH1A1GAAMAPK1KMT2A
SCHEMBL29165515 0.80 TSHR (0.49) SMN1; SMN2TSHRALDH1A1KMT2AMEN1
SCHEMBL1126945 0.78 TSHR (0.53) SMN1; SMN2TSHRALDH1A1MAPK1KMT2A
SCHEMBL15689544 0.77 CTSD (0.65) SMN1; SMN2TSHRALDH1A1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888340-B1 4-(BENZO-1,3-DIOXOLYL)-PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LAB (US) 2002-07-17 EP disclosed
US-6124341-A A DRUG FOR TREATING HYPERTENSION, CONGESTIVE HEART FAILURE, RESTENOSIS FOLLOWING ARTERIAL INJURY, CEREBRAL OR MYOCARDIAL ISCHEMIA OR ATHEROSCLEROSIS; VASODILUTOR ABBOTT LABORATORIES (US) 2000-09-26 US disclosed
EP-0991620-A1 PYRROLIDINE CARBOXYLIC ACID DERIVATIVES AS ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 2000-04-12 EP disclosed
WO-1998057933-A1 PYRROLIDINE CARBOXYLIC ACID DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1998-12-23 WO disclosed