SCHEMBL7396363

SCHEMBL7396363

CC(CO)CCC(O)CNC(=O)C(CC1CC1)C(O)CC(O)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.37
BCHE P06276 3/20 0.36
MMP3 P08254 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
ACE P12821 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL7392061 0.84 REN (0.40) RENBCHE
SCHEMBL7396361 0.77 PSEN1 (0.39) RENMMP3PSEN1PSEN2APH1B
SCHEMBL7397455 0.76 BCHE (0.36) RENBCHE
SCHEMBL7327628 0.74 REN (0.51) RENMMP3PSEN1PSEN2APH1B
SCHEMBL7395179 0.71 MMP2 (0.43) BCHECYP3A4TSHR
SCHEMBL7327623 0.71 REN (0.63) REN
SCHEMBL7425908 0.66 MMP3 (0.39) RENMMP3PSEN1PSEN2APH1B
SCHEMBL7875195 0.64 SIGMAR1 (0.47)
SCHEMBL2636331 0.60 TRPA1 (0.50) BCHETSHR
SCHEMBL29068018 0.59 KMT2A (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5354767-A Renin inhibiting polyhydroxy-monoamides BIO-MEGA, INC. (CA) 1994-10-11 US claimed
US-5354767-A Renin inhibiting polyhydroxy-monoamides BIO-MEGA, INC. (CA) 1994-10-11 US disclosed