SCHEMBL30547344

SCHEMBL30547344

C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.55
▸ F2 P00734 4/20 0.54
▸ CTSL P07711 3/20 0.53
▸ CTSS P25774 3/20 0.53
▸ CTSK P43235 3/20 0.53
▸ CTSH P09668 1/20 0.53
▸ NMUR2 Q9GZQ4 2/20 0.52
▸ NMUR1 Q9HB89 2/20 0.52
▸ C5AR1 P21730 1/20 0.51
▸ NPY2R P49146 6/20 0.51
▸ NPY4R P50391 6/20 0.51
▸ NPY5R Q15761 6/20 0.51
▸ NPY1R P25929 4/20 0.51
▸ RAMP3 O60896 1/20 0.50
▸ CALCR P30988 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
SCHEMBL30208250 0.95 EPHA2 (0.56) EPHA2F2CTSLCTSSCTSK
SCHEMBL29519729 0.92 C5AR1 (0.54) EPHA2F2CTSLCTSSCTSK
SCHEMBL29880330 0.88 C5AR1 (0.64) EPHA2C5AR1NPY2RNPY4RNPY5R
SCHEMBL29638059 0.88 MC4R (0.61) F2CTSLCTSSCTSKCTSH
SCHEMBL29638066 0.88 MC4R (0.61) F2CTSLCTSSCTSKCTSH
SCHEMBL29470156 0.88 NPY2R (0.62) F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30648441 0.87 CALCR (0.56) F2NMUR2CALCR
SCHEMBL30973967 0.87 CTSL (0.57) EPHA2F2CTSLCTSSCTSK
SCHEMBL30255096 0.86 NMUR2 (0.57) EPHA2F2CTSLCTSSCTSK
SCHEMBL31096802 0.86 C5AR1 (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
CN-110141662-B Nanofiber anti-tumor vaccine formed by folding self-assembled peptide and method 中国医学科学院医学生物学研究所 2023-08-18 — — CN disclosed
Send feedback