SCHEMBL23018583

SCHEMBL23018583

CC[C@@H]1NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)C(CCC(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSLP Q969D9 2/20 0.52
▸ ITGB3 P05106 8/20 0.51
▸ ITGAV P06756 4/20 0.51
▸ ITGB5 P18084 1/20 0.51
▸ MC4R P32245 9/20 0.51
▸ MC5R P33032 9/20 0.51
▸ MC3R P41968 9/20 0.51
▸ MC1R Q01726 9/20 0.51
▸ ITGB1 P05556 1/20 0.48
▸ ITGA5 P08648 1/20 0.48
▸ ITGA2B P08514 4/20 0.47
▸ PLAU P00749 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
SCHEMBL24975089 0.96 ITGB3 (0.54) ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL14585808 0.93 MC4R (0.57) ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL19605463 0.93 MC4R (0.57) ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL22872704 0.92 ITGB3 (0.59) ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL22872754 0.91 ITGB3 (0.49) TSLPITGB3ITGAVITGB5MC4R
SCHEMBL12673881 0.91 MC4R (0.48) TSLPITGB3ITGAVITGB5MC4R
SCHEMBL12315562 0.90 ITGB3 (0.48) TSLPITGB3ITGAVITGB5MC4R
SCHEMBL30121071 0.90 ITGB3 (0.50) TSLPITGB3ITGAVITGB5MC4R
SCHEMBL30121037 0.90 ITGB3 (0.50) TSLPITGB3ITGAVITGB5MC4R
SCHEMBL30121057 0.90 ITGB3 (0.50) TSLPITGB3ITGAVITGB5MC4R

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
EP-3613792-B1 MULTI-ARM TARGETED ANTI-CANCER CONJUGATE BRIGHT GENE BIO MEDICAL TECH CO LTD (CN) 2021-02-24 — — EP disclosed
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