SCHEMBL30953201

SCHEMBL30953201

CC(C)[C@H](NC(=O)[C@@H](N)Cc1cccnc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.47
▸ GPR132 Q9UNW8 2/20 0.45
▸ CTSD P07339 4/20 0.44
▸ TBXAS1 P24557 2/20 0.44
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ CTSC P53634 1/20 0.42
▸ ADAMTS4 O75173 1/20 0.42
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ BACE1 P56817 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL31631403 0.88 BACE1 (0.44) MMEGPR132CTSDTBXAS1LMNA
SCHEMBL29543743 0.87 MME (0.61) MMECTSDOPRM1OPRD1CTSC
SCHEMBL31542110 0.87 BACE1 (0.46) MMEGPR132CTSDTBXAS1LMNA
SCHEMBL29394485 0.84 OPRD1 (0.51) CTSDOPRM1OPRD1BACE1
SCHEMBL29377179 0.82 MME (0.57) MMECTSDALDH1A1OPRM1OPRD1
SCHEMBL8525812 0.82 MME (0.67) MMEOPRM1OPRD1CTSC
SCHEMBL8525810 0.82 MME (0.67) MMEOPRM1OPRD1CTSC
SCHEMBL31174322 0.82 MME (0.67) MMEOPRM1OPRD1CTSC
SCHEMBL29395172 0.81 ERAP2 (0.45) CTSDBACE1
SCHEMBL19000037 0.81 PKM (0.48) TBXAS1LMNACTSCHDAC8

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-118178252-A Application of sea cucumber tetrapeptide and its derivatives in cosmetics 上海湃肽生物科技有限公司 2024-06-14 — — CN disclosed
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