SCHEMBL28549280

SCHEMBL28549280

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 3/20 0.59
▸ OPRD1 P41143 5/20 0.53
▸ OPRM1 P35372 4/20 0.53
▸ OPRK1 P41145 1/20 0.53
▸ CTSL P07711 1/20 0.53
▸ CTSB P07858 1/20 0.53
▸ CTSS P25774 1/20 0.53
▸ PSMB5 P28074 1/20 0.51
▸ LTA4H P09960 3/20 0.50
▸ MME P08473 1/20 0.50
▸ ANPEP P15144 1/20 0.50
▸ ECE1 P42892 1/20 0.50
▸ ACE P12821 1/20 0.49

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
SCHEMBL28549277 1.00 REN (0.59) RENOPRD1OPRM1OPRK1CTSL
SCHEMBL28539890 0.88 REN (0.65) RENOPRD1OPRM1OPRK1PSMB5
SCHEMBL28539891 0.88 REN (0.65) RENOPRD1OPRM1OPRK1PSMB5
SCHEMBL21261673 0.88 CTSS (0.57) RENOPRD1OPRM1OPRK1CTSL
SCHEMBL28540560 0.88 CTSS (0.57) RENOPRD1OPRM1OPRK1CTSL
SCHEMBL31388294 0.87 OPRD1 (0.57) RENOPRD1OPRM1OPRK1CTSL
SCHEMBL10695717 0.86 CTSS (0.62) RENOPRD1OPRM1OPRK1CTSS
SCHEMBL29613059 0.84 REN (0.55) RENOPRD1OPRM1OPRK1CTSL
SCHEMBL21246823 0.82 ACE (0.68) PSMB5MMEECE1ACE
SCHEMBL21246822 0.82 ACE (0.68) PSMB5MMEECE1ACE

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
CN-108017555-B Beta-hydroxybutyryl-amino acid compound and preparation method and application thereof 郑州海斯威生物技术有限公司 2021-03-26 — — CN disclosed
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