SCHEMBL31004384

SCHEMBL31004384

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 4/20 0.61
▸ ECE1 P42892 5/20 0.59
▸ GHSR Q92847 6/20 0.58
▸ IL1RN P18510 3/20 0.56
▸ ERAP1 Q9NZ08 2/20 0.56
▸ ACE P12821 2/20 0.55

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
SCHEMBL29531497 1.00 ERAP2 (0.61) ERAP2ECE1GHSRIL1RNERAP1
SCHEMBL29378588 0.96 ERAP2 (0.63) ERAP2ECE1GHSRIL1RNERAP1
SCHEMBL31583852 0.96 ERAP2 (0.63) ERAP2ECE1GHSRIL1RNERAP1
SCHEMBL31004373 0.95 ERAP2 (0.61) ERAP2ECE1GHSRIL1RNERAP1
SCHEMBL31232500 0.94 ERAP2 (0.63) ERAP2ECE1GHSRIL1RNERAP1
SCHEMBL31720495 0.93 ERAP2 (0.63) ERAP2ECE1GHSRIL1RNERAP1
SCHEMBL30416193 0.93 ECE1 (0.64) ERAP2ECE1GHSRIL1RNERAP1
SCHEMBL29603261 0.93 KDM4E (0.59) GHSRACE
SCHEMBL30921655 0.92 GHSR (0.60) ERAP2ECE1GHSRACE
SCHEMBL31583409 0.92 ERAP2 (0.60) ERAP2ECE1GHSRIL1RNERAP1

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-2024151034-A1 P53-ACTIVATING PEPTIDE AND COMPOSITION CONTAINING SAME (주) 수파드엘릭사 2024-07-18 — — WO disclosed
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