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SCHEMBL8150753

SCHEMBL8150753

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 7/20 0.55
▸ BACE1 P56817 5/20 0.51
▸ KEAP1 Q14145 1/20 0.48
▸ REN P00797 1/20 0.48
▸ QRFPR Q96P65 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
SCHEMBL30527842 0.96 KISS1R (0.55) KISS1RBACE1KEAP1
SCHEMBL29416105 0.96 KISS1R (0.55) KISS1RBACE1KEAP1
SCHEMBL29582587 0.88 ACE (0.52) REN
SCHEMBL30512530 0.87 BACE1 (0.57) KISS1RBACE1
SCHEMBL2520307 0.83 NAALAD2 (0.56) BACE1REN
SCHEMBL2520304 0.83 NAALAD2 (0.56) BACE1REN
SCHEMBL2519495 0.83 ACE (0.56) REN
SCHEMBL2519489 0.83 ACE (0.56) REN
SCHEMBL29630729 0.83 MME (0.50) QRFPR
SCHEMBL29466039 0.83 NAALAD2 (0.53) QRFPR

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-6046042-A AMINO ACID SEQUENCE; FOR PREFERENTIALLY PRODUCING (S)-CYANOHYDRINS DSM CHEMIE LINZ GMBH (AT) 2000-04-04 — — US disclosed
EP-0840792-A2 (S)-HYDROXYNITRILLYASE FROM HEVEA BRASILIENSIS DSM Chemie Linz GmbH (AT) 1998-05-13 — — EP disclosed
WO-1997003204-A2 (S)-HYDROXYNITRILLYASE FROM HEVEA BRASILIENSIS DSM CHEMIE LINZ GMBH (AT) 1997-01-30 — — WO disclosed
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