SCHEMBL9739581

SCHEMBL9739581

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CPA1 P15085 7/20 0.60
▸ CPA3 P15088 2/20 0.60
▸ CPB1 P15086 1/20 0.60
▸ CPB2 Q96IY4 1/20 0.60
▸ CYP1A2 P05177 1/20 0.58
▸ MAPT P10636 1/20 0.54
▸ MME P08473 2/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ FOLH1 Q04609 1/20 0.51
▸ ANPEP P15144 2/20 0.51
▸ LTA4H P09960 1/20 0.51
▸ ECE1 P42892 1/20 0.51
▸ RNPEP Q9H4A4 1/20 0.50
▸ DNPEP Q9ULA0 1/20 0.50

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
SCHEMBL7280261 0.82 CPA1 (0.66) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL9554494 0.79 CPA1 (0.64) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL9554487 0.79 CPA1 (0.64) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL8006913 0.79 MME (0.47) CPA1MAPTMMEMEN1KMT2A
SCHEMBL9222947 0.79 CPA1 (0.71) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL9554964 0.79 CPA1 (0.71) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7278058 0.79 CPA1 (0.71) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL11478326 0.78 CYP1A2 (0.52) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL3844932 0.78 KMT2A (0.70) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL10076047 0.77 CPA1 (0.70) CPA1CPA3CPB1CPB2CYP1A2

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-5104869-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1992-04-14 — — US disclosed
EP-0427939-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1991-05-22 — — EP disclosed
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