SCHEMBL29657708

SCHEMBL29657708

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 2/20 0.62
▸ ECE1 P42892 5/20 0.53
▸ EDNRA P25101 1/20 0.53
▸ GHSR Q92847 2/20 0.53
▸ ITGB2 P05107 1/20 0.51
▸ ICAM1 P05362 1/20 0.51
▸ ITGAL P20701 1/20 0.51
▸ IL1RN P18510 1/20 0.51
▸ ERAP1 Q9NZ08 1/20 0.51
▸ MMP2 P08253 2/20 0.51
▸ MMP9 P14780 1/20 0.51
▸ MMP8 P22894 1/20 0.51
▸ MMP1 P03956 1/20 0.51
▸ ACE P12821 1/20 0.50

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
SCHEMBL31606464 0.92 GHSR (0.59) ERAP2ECE1GHSRITGB2ICAM1
SCHEMBL9653545 0.92 ECE1 (0.62) ERAP2ECE1GHSRITGB2ICAM1
SCHEMBL2181464 0.92 ECE1 (0.62) ERAP2ECE1GHSRITGB2ICAM1
SCHEMBL31606457 0.91 GHSR (0.61) ERAP2ECE1EDNRAGHSRITGB2
SCHEMBL30052260 0.89 GHSR (0.62) ERAP2ECE1GHSRITGB2ICAM1
SCHEMBL31606505 0.87 GHSR (0.65) ERAP2ECE1GHSRITGB2ICAM1
SCHEMBL31606453 0.87 GHSR (0.63) ERAP2GHSRITGB2ICAM1ITGAL
SCHEMBL29533411 0.85 GHSR (0.65) ECE1GHSRITGB2ICAM1ITGAL
SCHEMBL31606463 0.85 GHSR (0.65) GHSRITGB2ICAM1ITGALMMP2
SCHEMBL31606487 0.85 GHSR (0.61) ERAP2ECE1GHSRITGB2ICAM1

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
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