SCHEMBL11025954

SCHEMBL11025954

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)C(CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)COc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 16/20 0.67
▸ CTSD P07339 2/20 0.58
▸ MEN1 O00255 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ KMT2A Q03164 1/20 0.56

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
SCHEMBL11023793 0.95 CTSD (0.62) RENCTSD
SCHEMBL8893254 0.93 REN (0.67) RENCTSD
SCHEMBL8893459 0.88 REN (0.61) RENCTSD
SCHEMBL10749186 0.88 REN (0.61) RENCTSD
SCHEMBL10744547 0.81 ALDH1A1 (0.67) MEN1ALDH1A1LMNAKMT2A
SCHEMBL11028015 0.80 KLK5 (0.84) REN
SCHEMBL11025093 0.79 REN (0.76) RENCTSD
SCHEMBL8894396 0.78 REN (0.67) RENCTSD
SCHEMBL15290564 0.78 PSMB5 (0.64) RENALDH1A1
SCHEMBL11023324 0.77 MEN1 (0.48) RENCTSDMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0077029-B1 RENIN INHIBITORY PEPTIDES MERCK & CO. INC. (US) 1985-08-21 — — EP disclosed
Send feedback