SCHEMBL29965711

SCHEMBL29965711

C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 9/20 0.56
▸ IL23R Q5VWK5 7/20 0.54
▸ CTSL P07711 1/20 0.50
▸ CTSH P09668 1/20 0.50
▸ CTSS P25774 1/20 0.50
▸ CTSK P43235 1/20 0.50
▸ GLP1R P43220 1/20 0.49
▸ GCGR P47871 1/20 0.49
▸ TUBB4A P04350 1/20 0.49
▸ TUBB P07437 1/20 0.49
▸ TUBA3C P0DPH7 1/20 0.49
▸ TUBA1B P68363 1/20 0.49
▸ TUBA4A P68366 1/20 0.49
▸ TUBB4B P68371 1/20 0.49
▸ TUBB3 Q13509 1/20 0.49
▸ TUBB2A Q13885 1/20 0.49
▸ TUBB8 Q3ZCM7 1/20 0.49
▸ TUBA3E Q6PEY2 1/20 0.49
▸ TUBA1A Q71U36 1/20 0.49
▸ TUBA1C Q9BQE3 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
SCHEMBL31278659 0.94 IL23R (0.52) CXCR4IL23R
SCHEMBL30577977 0.92 GLP1R (0.56) CXCR4GLP1R
SCHEMBL29641174 0.92 IL23R (0.62) CXCR4IL23RGLP1RGCGRTUBB4A
SCHEMBL31279447 0.92 IL23R (0.52) CXCR4IL23R
SCHEMBL31399727 0.90 CXCR4 (0.53) CXCR4IL23RGLP1RGCGRTUBB4A
SCHEMBL29613381 0.88 GLP1R (0.61) IL23RGLP1RGCGR
SCHEMBL29883587 0.88 IL23R (0.61) IL23RGLP1RGCGRTUBB4ATUBB
SCHEMBL31399734 0.87 IL23R (0.51) CXCR4IL23RGLP1RGCGR
SCHEMBL31399744 0.87 IL23R (0.51) CXCR4IL23RGLP1RGCGR
SCHEMBL30080640 0.87 C5AR1 (0.57) IL23R

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-115252456-A Cosmetic composition with wrinkle removing effect, facial mask and preparation method 深圳市宗匠科技有限公司 2022-11-01 — — CN disclosed
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