SCHEMBL10069256

SCHEMBL10069256

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.61
ENPEP Q07075 1/20 0.61
ALDH1A1 P00352 2/20 0.53
SLC7A5 Q01650 2/20 0.52
TPH1 P17752 1/20 0.51
KMT2A Q03164 2/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
DPP4 P27487 2/20 0.49
ACACB O00763 1/20 0.49
ERAP2 Q6P179 1/20 0.47
LNPEP Q9UIQ6 1/20 0.47
FOLH1 Q04609 4/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL157002 0.86 SLC7A5 (0.69) ANPEPENPEPALDH1A1SLC7A5TPH1
SCHEMBL93441 0.86 SLC7A5 (0.69) ANPEPENPEPALDH1A1SLC7A5TPH1
SCHEMBL18067341 0.86 KMT2A (0.57) ANPEPENPEPALDH1A1SLC7A5TPH1
SCHEMBL19295504 0.86 SLC7A5 (0.69) ANPEPENPEPALDH1A1SLC7A5TPH1
SCHEMBL3203962 0.86 TPH1 (0.49) ANPEPENPEPALDH1A1SLC7A5TPH1
Hydrochloric Acid SCHEMBL6708183 0.85 SLC7A5 (0.67) ANPEPENPEPALDH1A1SLC7A5TPH1
Hydrochloric Acid SCHEMBL6708181 0.85 SLC7A5 (0.67) ANPEPENPEPALDH1A1SLC7A5TPH1
Hydrochloric Acid SCHEMBL27479092 0.85 SLC7A5 (0.67) ANPEPENPEPALDH1A1SLC7A5TPH1
SCHEMBL16728148 0.84 SLC7A5 (0.55) ALDH1A1SLC7A5TPH1ALPIPKM
SCHEMBL5183224 0.82 ANPEP (0.62) ANPEPENPEPALDH1A1

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
WO-2024059472-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-03-21 WO disclosed
WO-2012021876-A2 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2012-02-16 WO disclosed