SCHEMBL29657706

SCHEMBL29657706

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 6/20 0.63
IL1RN P18510 5/20 0.63
ERAP1 Q9NZ08 3/20 0.58
OPRM1 P35372 2/20 0.57
OPRD1 P41143 2/20 0.57
KISS1R Q969F8 5/20 0.56

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
SCHEMBL29384656 0.95 ERAP2 (0.62) ERAP2IL1RNERAP1OPRM1OPRD1
SCHEMBL30506397 0.94 ERAP2 (0.59) ERAP2IL1RNERAP1
SCHEMBL30490001 0.94 TP53 (0.57) ERAP2IL1RNERAP1
SCHEMBL30797170 0.93 OPRM1 (0.57) ERAP2IL1RNERAP1OPRM1OPRD1
SCHEMBL38662537 0.93 IL1RN (0.59) ERAP2IL1RNERAP1KISS1R
SCHEMBL29577107 0.93 ERAP1 (0.56) ERAP2IL1RNERAP1OPRM1OPRD1
SCHEMBL30414279 0.93 OPRM1 (0.58) ERAP2IL1RNERAP1OPRM1OPRD1
SCHEMBL29577523 0.93 ERAP1 (0.56) ERAP2IL1RNERAP1OPRM1OPRD1
SCHEMBL7936370 0.92 ERAP1 (0.57) ERAP2IL1RNERAP1OPRM1OPRD1
SCHEMBL7048052 0.92 ERAP1 (0.57) ERAP2IL1RNERAP1OPRM1OPRD1

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-112048534-B Spanish mackerel protein hydrolysate with resveratrol efficacy improving activity and preparation method thereof 华南理工大学 2022-05-24 CN disclosed