SCHEMBL7327628

SCHEMBL7327628

CC(C)CC(O)C(NC(=O)[C@H](CC1CC1)[C@H](O)C[C@H](O)Cc1ccccc1)C(O)CC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.51
MMP3 P08254 1/20 0.49
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47

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
SCHEMBL7327623 0.90 REN (0.63) REN
SCHEMBL7337573 0.75 REN (0.50) REN
SCHEMBL7337687 0.75 REN (0.50) REN
SCHEMBL7396363 0.74 REN (0.37) RENMMP3PSEN1PSEN2APH1B
SCHEMBL7396361 0.74 PSEN1 (0.39) RENMMP3PSEN1PSEN2APH1B
SCHEMBL7336343 0.73 REN (0.48) REN
SCHEMBL7280148 0.73 LTA4H (0.49) RENMMP3PSEN1PSEN2APH1B
SCHEMBL5709600 0.72 REN (0.66) REN
SCHEMBL7425908 0.69 MMP3 (0.39) RENMMP3PSEN1PSEN2APH1B
SCHEMBL7280042 0.69 REN (0.62) REN

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