SCHEMBL30099557

SCHEMBL30099557

CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GNPAT O15228 1/20 0.58
▸ FURIN P09958 1/20 0.54
▸ GHSR Q92847 1/20 0.51
▸ PTPN2 P17706 1/20 0.51
▸ PTPN1 P18031 1/20 0.51
▸ KISS1R Q969F8 1/20 0.50
▸ CPA1 P15085 1/20 0.50
▸ CPA2 P48052 1/20 0.50
▸ CPA4 Q9UI42 1/20 0.50
▸ SIRT5 Q9NXA8 1/20 0.50
▸ PAM P19021 1/20 0.50
▸ CTSL P07711 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
SCHEMBL30099561 0.98 GNPAT (0.58) GNPATFURINGHSRPTPN2PTPN1
SCHEMBL29611822 0.91 F2 (0.61) GNPATFURINPTPN1
SCHEMBL29719668 0.91 GNPAT (0.64) GNPATFURINCPA1CPA2CPA4
SCHEMBL30099478 0.89 MMP2 (0.56) GHSRCTSL
SCHEMBL29972888 0.89 MMP2 (0.52) GHSRCTSL
SCHEMBL30688840 0.89 GHSR (0.51) GHSRPTPN1KISS1RCTSL
SCHEMBL16494898 0.88 SIRT5 (0.61) GNPATFURINCPA1CPA2CPA4
SCHEMBL16494894 0.88 SIRT5 (0.61) GNPATFURINCPA1CPA2CPA4
SCHEMBL29972565 0.88 CTSL (0.51) GHSRPTPN1CTSL
SCHEMBL18951686 0.87 GNPAT (0.58) GNPATFURINGHSRPTPN2PTPN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023003984-A2 LABEL-FREE DETECTION OF PROTEASE ACTIVITY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-01-26 — — WO claimed
US-20250123280-A1 LABEL-FREE DETECTION OF PROTEASE ACTIVITY UNIV OREGON HEALTH & SCIENCE (US) 2025-04-17 — — US disclosed
Send feedback