SCHEMBL7304692

SCHEMBL7304692

CC(C)C[C@H](O)[C@H](O)CC(N)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
EPHX1 P07099 3/20 0.34
SHBG P04278 1/20 0.34
DPP4 P27487 1/20 0.34
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP14 P50281 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
SCHEMBL7295223 1.00 TP53 (0.41) TP53KDM4EGMNNLMNAMAPT
SCHEMBL7319672 1.00 TP53 (0.41) TP53KDM4EGMNNLMNAMAPT
SCHEMBL9746111 1.00 TP53 (0.41) TP53KDM4EGMNNLMNAMAPT
Hydrochloric Acid SCHEMBL9822844 0.98 KDM4E (0.42) TP53KDM4EGMNNLMNAMAPT
Hydrochloric Acid SCHEMBL9823332 0.98 KDM4E (0.42) TP53KDM4EGMNNLMNAMAPT
Acetic Acid SCHEMBL9744757 0.92 ALDH1A1 (0.37) TP53KDM4EGMNNLMNAMAPT
SCHEMBL7317494 0.86 TP53 (0.42) TP53KDM4EGMNNLMNAMAPT
SCHEMBL13995102 0.86 EPHX1 (0.41) TP53KDM4EGMNNLMNAMAPT
SCHEMBL13995101 0.86 EPHX1 (0.41) TP53KDM4EGMNNLMNAMAPT
SCHEMBL13995117 0.83 ALDH1A1 (0.39) TP53KDM4EGMNNLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992000972-A1 RENIN INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1992-01-23 WO claimed
EP-0439556-A1 HETEROCYCLIC PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-08-07 EP claimed
WO-1990004917-A1 HETEROCYCLIC PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-05-17 WO claimed
US-5212175-A Benzothiophenyl benzothiophenylalkyl-N-terminal amino hydroxy β-amino acid derivatives G. D. SEARLE & CO. (US) 1993-05-18 US disclosed
US-5164388-A Hypotensive agents, treatment of congestive heart failure ABBOTT LABORATORIES (US) 1992-11-17 US disclosed
US-5091575-A Renin inhibitor ABBOTT LABORATORIES (US) 1992-02-25 US disclosed
WO-1992000972-A1 RENIN INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1992-01-23 WO disclosed
EP-0439556-A4 HETEROCYCLIC PEPTIDE RENIN INHIBITORS 1991-10-30 EP disclosed
US-5059589-A Glaucoma treatment ABBOTT LABORATORIES (US) 1991-10-22 US disclosed
EP-0439556-A1 HETEROCYCLIC PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-08-07 EP disclosed
EP-0437508-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-07-24 EP disclosed
US-5032577-A Hypotensive ABBOTT LABORATORIES (US) 1991-07-16 US 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
WO-1990003971-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-04-19 WO disclosed
EP-0295294-A4 PEPTIDYLAMINODIOLS. ABBOTT LAB (US) 1990-04-10 EP disclosed
EP-0295294-A1 PEPTIDYLAMINODIOLS ABBOTT LABORATORIES (US) 1988-12-21 EP disclosed
WO-1988005050-A1 PEPTIDYLAMINODIOLS ABBOTT LABORATORIES (US) 1988-07-14 WO disclosed
EP-0229667-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1987-07-22 EP disclosed