SCHEMBL30997485

SCHEMBL30997485

C[C@@H](O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.53
▸ CTSS P25774 3/20 0.53
▸ CTSK P43235 3/20 0.53
▸ CTSH P09668 1/20 0.53
▸ C5AR1 P21730 2/20 0.52
▸ DPP3 Q9NY33 5/20 0.51
▸ CAPN1 P07384 2/20 0.50
▸ CTSB P07858 2/20 0.50
▸ CXCR4 P61073 1/20 0.50
▸ KISS1R Q969F8 3/20 0.49
▸ KEAP1 Q14145 1/20 0.47
▸ GLP1R P43220 1/20 0.47
▸ GCGR P47871 1/20 0.47
▸ GIPR P48546 1/20 0.47
▸ CALCRL Q16602 1/20 0.47

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
SCHEMBL31475675 0.89 CTSL (0.60) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL31073544 0.86 KISS1R (0.57) C5AR1KISS1RKEAP1GLP1RGCGR
SCHEMBL29657709 0.86 DPP3 (0.54) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30440074 0.85 CXCR4 (0.56) C5AR1CAPN1CTSBCXCR4KISS1R
SCHEMBL30465929 0.85 CAPN1 (0.54) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30460317 0.85 CTSL (0.59) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL31674417 0.85 DPP3 (0.59) C5AR1DPP3
SCHEMBL31674416 0.85 DPP3 (0.59) C5AR1DPP3
SCHEMBL31483961 0.84 C5AR1 (0.59) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL31510402 0.84 CTSL (0.53) CTSLCTSSCTSKCTSHC5AR1

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
US-20240230663-A1 METHODS, COMPOSITIONS, AND SYSTEMS FOR PROFILING OR PREDICTING AN IMMUNE RESPONSE AVAIL BIO INC (US) 2024-07-11 — — US disclosed
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