SCHEMBL7429081

SCHEMBL7429081

CC(C)CC(NC(=O)OC(C)(C)C)C(O)COc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.49
BACE1 P56817 5/20 0.48
PSEN1 P49768 3/20 0.47
PSEN2 P49810 3/20 0.47
APH1B Q8WW43 3/20 0.47
NCSTN Q92542 3/20 0.47
APH1A Q96BI3 3/20 0.47
PSENEN Q9NZ42 3/20 0.47
APP P05067 1/20 0.46
KLK5 Q9Y337 1/20 0.46
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46

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
SCHEMBL10721035 0.83 REN (0.56) RENBACE1
SCHEMBL10721023 0.83 REN (0.56) RENBACE1
SCHEMBL3375456 0.82 KLK5 (0.47) KLK5MTNR1AMTNR1B
SCHEMBL3376678 0.81 KLK5 (0.46) KLK5MTNR1AMTNR1B
SCHEMBL9697661 0.81 CTSS (0.54) RENBACE1PSEN1PSEN2APH1B
SCHEMBL7441770 0.81 PSEN1 (0.49) RENBACE1PSEN1PSEN2APH1B
SCHEMBL507001 0.80 MTNR1A (0.66) MTNR1AMTNR1B
SCHEMBL30241501 0.80 MTNR1A (0.66) MTNR1AMTNR1B
SCHEMBL507002 0.80 MTNR1A (0.66) MTNR1AMTNR1B
SCHEMBL4390238 0.80 NPC1 (0.46) RENBACE1PSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4826815-A HYPOTENSIVE ABBOTT LABORATORIES (US) 1989-05-02 US disclosed
US-4645759-A HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1987-02-24 US disclosed
EP-0172347-A2 Renin inhibiting compounds ABBOTT LABORATORIES (US) 1986-02-26 EP disclosed