SCHEMBL19750987

SCHEMBL19750987

CC(C)C(N)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 5/20 0.56
▸ MME P08473 7/20 0.54
▸ ACE P12821 3/20 0.53
▸ CPA1 P15085 3/20 0.53
▸ ACE2 Q9BYF1 3/20 0.53
▸ MMP2 P08253 1/20 0.52
▸ MMP7 P09237 1/20 0.52
▸ MMP9 P14780 1/20 0.52
▸ MMP12 P39900 1/20 0.52
▸ MMP13 P45452 1/20 0.52
▸ NAALAD2 Q9Y3Q0 1/20 0.51
▸ BACE2 Q9Y5Z0 1/20 0.51

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
SCHEMBL30051551 0.92 MME (0.58) MMEACECPA1ACE2
Mdl-28170 SCHEMBL30873029 0.92 MME (0.61) MMEACECPA1ACE2
Mdl-28170 SCHEMBL7335375 0.92 MME (0.61) MMEACECPA1ACE2
Mdl-28170 SCHEMBL11370994 0.92 MME (0.61) MMEACECPA1ACE2
SCHEMBL30400950 0.91 MME (0.53) BACE1MMEACECPA1ACE2
SCHEMBL31668884 0.91 BACE1 (0.60) BACE1MMENAALAD2BACE2
SCHEMBL30312137 0.90 BACE1 (0.64) BACE1MMEACECPA1ACE2
SCHEMBL10866909 0.90 MME (0.56) MMEACECPA1ACE2MMP2
SCHEMBL31181218 0.90 MME (0.56) MMEACECPA1ACE2MMP2
SCHEMBL10870464 0.90 MME (0.56) MMEACECPA1ACE2MMP2

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
EP-3259998-B1 FLAVOR COMPOSITIONS AND METHODS FOR INCREASING SALTINESS OR UMAMI INTENSITY IN FOOD PRODUCTS USING THE SAME MARS INC (US) 2020-07-01 — — EP disclosed
EP-3259998-A1 FLAVOR COMPOSITIONS AND METHODS FOR INCREASING SALTINESS OR UMAMI INTENSITY IN FOOD PRODUCTS USING THE SAME Mars, Incorporated (US) 2017-12-27 — — EP disclosed
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