SCHEMBL30947373

SCHEMBL30947373

CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 2/20 0.53
▸ BACE1 P56817 10/20 0.52
▸ BACE2 Q9Y5Z0 4/20 0.52
▸ NAALAD2 Q9Y3Q0 1/20 0.52
▸ OPRM1 P35372 1/20 0.48
▸ CTSD P07339 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ CASP9 P55211 1/20 0.47
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ NPY4R P50391 1/20 0.47
▸ IL1RN P18510 1/20 0.47
▸ ERAP2 Q6P179 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
SCHEMBL30798078 0.92 OPRD1 (0.59) OPRD1BACE1BACE2CTSD
SCHEMBL29531717 0.91 BACE1 (0.56) OPRD1BACE1BACE2NAALAD2OPRM1
SCHEMBL29532196 0.91 BACE1 (0.56) BACE1BACE2CTSD
SCHEMBL31062518 0.91 OPRD1 (0.61) OPRD1BACE1BACE2OPRM1CASP1
SCHEMBL29458786 0.90 ACE (0.51) OPRD1BACE1BACE2NAALAD2OPRM1
SCHEMBL11886068 0.90 ACE (0.51) OPRD1BACE1BACE2NAALAD2OPRM1
SCHEMBL29857400 0.90 ACE (0.51) OPRD1BACE1BACE2NAALAD2OPRM1
Tyrosine SCHEMBL19809042 0.89 SLC7A5 (0.56) OPRD1BACE1BACE2NAALAD2
Tyrosine SCHEMBL19809043 0.89 SLC7A5 (0.56) OPRD1BACE1BACE2NAALAD2
SCHEMBL11886066 0.88 NAALAD2 (0.66) NAALAD2NPY1RNPY2RNPY4RERAP2

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
WO-2024108227-A1 CBX2 INHIBITORY COMPOUNDS FOR TREATING HIGH GRADE SEROUS OVARIAN CANCER THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2024-05-23 — — WO disclosed
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