SCHEMBL30130525

SCHEMBL30130525

CC(C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.55
▸ ECE1 P42892 12/20 0.54
▸ CTSC P53634 1/20 0.52
▸ DPP3 Q9NY33 2/20 0.51
▸ ERAP2 Q6P179 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
SCHEMBL29750395 0.96 ACE (0.59) ACEECE1CTSCERAP2
SCHEMBL30567414 0.92 ACE (0.55) ACEECE1ERAP2
SCHEMBL31073596 0.91 ACE (0.59) ACEECE1ERAP2
Hydrochloric Acid SCHEMBL11220500 0.90 ACE (0.56) ACEECE1
SCHEMBL30838788 0.89 ACE (0.61) ACEECE1ERAP2
SCHEMBL30051553 0.89 ACE (0.68) ACEECE1CTSC
SCHEMBL30093064 0.89 C5AR1 (0.53) —
SCHEMBL31510666 0.88 ECE1 (0.54) ACEECE1ERAP2
Hydrochloric Acid SCHEMBL11229707 0.88 ACE (0.67) ACEECE1CTSC
Hydrochloric Acid SCHEMBL11237645 0.88 ACE (0.67) ACEECE1CTSC

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
EP-4129064-A1 NOVEL ANTIBACTERIAL PEPTIDE AND USE THEREOF Anygen Co., Ltd. (KR) 2023-02-08 — — EP claimed
Send feedback