SCHEMBL29463731

SCHEMBL29463731

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 9/20 0.58
▸ CTSL P07711 3/20 0.55
▸ CTSS P25774 3/20 0.55
▸ CTSK P43235 3/20 0.55
▸ CTSH P09668 1/20 0.55
▸ NPY1R P25929 1/20 0.51
▸ NPY2R P49146 1/20 0.51
▸ NPY4R P50391 1/20 0.51
▸ NPY5R Q15761 1/20 0.51
▸ KISS1R Q969F8 1/20 0.51
▸ C5AR1 P21730 1/20 0.50
▸ CTNNB1 P35222 1/20 0.50
▸ IL23R Q5VWK5 1/20 0.50
▸ MAPK8 P45983 1/20 0.50
▸ MAPK9 P45984 1/20 0.50
▸ MAPK10 P53779 1/20 0.50
▸ F13A1 P00488 1/20 0.49
▸ TGM2 P21980 1/20 0.49

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
SCHEMBL3089689 0.98 CXCR4 (0.57) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL3089699 0.98 CXCR4 (0.57) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL8937035 0.90 CXCR4 (0.56) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29627461 0.89 TACR1 (0.60) CXCR4C5AR1
SCHEMBL9740739 0.89 CXCR4 (0.54) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL9740766 0.89 CXCR4 (0.54) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL31668913 0.88 C5AR1 (0.61) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL24120770 0.87 CXCR4 (0.55) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL8073467 0.87 TACR1 (0.54) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL31725194 0.86 CTSL (0.63) CXCR4CTSLCTSSCTSKCTSH

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-111206017-B Serum-free culture medium for stem cells and application thereof 浙江大学 2022-02-18 — — CN claimed
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