SCHEMBL7301805

SCHEMBL7301805

CCC(=O)Oc1ccccc1OCC=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
CTSS P25774 3/20 0.42
CTSK P43235 3/20 0.42
CTSL P07711 2/20 0.42
ELANE P08246 1/20 0.41
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ESR1 P03372 2/20 0.39
HIF1A Q16665 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
RECQL P46063 2/20 0.39
KMT2A Q03164 2/20 0.39
ACHE P22303 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
FGFR1 P11362 1/20 0.38
VCP P55072 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 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
SCHEMBL21647799 0.84 ALDH1A1 (0.43) ALOX15ELANEGLAL3MBTL1PTGDR2
SCHEMBL8435546 0.84 ALOX15 (0.55) ALOX15ELANEGLAL3MBTL1ESR1
SCHEMBL6249085 0.82 L3MBTL1 (0.59) ALOX15ELANEGLAL3MBTL1ESR1
SCHEMBL8084797 0.79 NPC1 (0.47) ALOX15ELANEGLAL3MBTL1HIF1A
SCHEMBL3946342 0.78 L3MBTL1 (0.53) ALOX15CTSSCTSKCTSLGLA
SCHEMBL8072579 0.78 CYP1A2 (0.51) ALOX15ELANEL3MBTL1RECQLKMT2A
SCHEMBL4635152 0.78 PTPN1 (0.45) ALOX15ELANEGLAL3MBTL1ESR1
SCHEMBL11685011 0.78 KDM4E (0.44) ALOX15ELANEGLAL3MBTL1RECQL
SCHEMBL1200995 0.77 ALDH1A1 (0.55) ALOX15ELANEESR1HIF1APTGDR2
SCHEMBL362210 0.77 MAPT (0.57) ALOX15ELANEL3MBTL1KMT2AKDM4E

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
US-5164388-A Hypotensive agents, treatment of congestive heart failure ABBOTT LABORATORIES (US) 1992-11-17 US disclosed
EP-0439556-A4 HETEROCYCLIC PEPTIDE RENIN INHIBITORS 1991-10-30 EP disclosed
EP-0439556-A1 HETEROCYCLIC PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-08-07 EP disclosed
WO-1990004917-A1 HETEROCYCLIC PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-05-17 WO disclosed
EP-0365992-A1 Heterocyclic peptide renin inhibitors ABBOTT LABORATORIES (US) 1990-05-02 EP disclosed