SCHEMBL28045698

SCHEMBL28045698

O=C(Cc1ccccc1)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR34 Q9UPC5 9/20 0.74
ITGB3 P05106 1/20 0.70
ITGA2B P08514 1/20 0.70
PPARG P37231 4/20 0.68
MME P08473 1/20 0.64
ACE P12821 1/20 0.64
CPA1 P15085 1/20 0.64
ACE2 Q9BYF1 1/20 0.64
GPR132 Q9UNW8 2/20 0.64
YAP1 P46937 1/20 0.59
PPARA Q07869 1/20 0.58

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
SCHEMBL5398899 1.00 GPR34 (0.74) GPR34ITGB3ITGA2BPPARGMME
SCHEMBL28045699 1.00 GPR34 (0.74) GPR34ITGB3ITGA2BPPARGMME
SCHEMBL12989411 0.91 GPR34 (0.72) GPR34ITGB3ITGA2BPPARGMME
SCHEMBL12475389 0.91 GPR34 (0.72) GPR34ITGB3ITGA2BPPARGMME
SCHEMBL31390144 0.90 GPR34 (0.71) GPR34ITGB3ITGA2BPPARGMME
SCHEMBL14413890 0.90 GPR34 (0.71) GPR34ITGB3ITGA2BPPARGMME
SCHEMBL9052952 0.87 PPARG (0.69) GPR34ITGB3ITGA2BPPARGMME
SCHEMBL4144665 0.87 ITGB3 (0.65) ITGB3ITGA2BMMEACECPA1
SCHEMBL10504767 0.87 ITGB3 (0.65) ITGB3ITGA2BMMEACECPA1
SCHEMBL4144668 0.87 ITGB3 (0.65) ITGB3ITGA2BMMEACECPA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105175418-B Pentacyclic indole quinolizine for inhibiting autophagy of cells, synthesis, antitumor activity and application thereof 首都医科大学 2020-01-14 CN disclosed
CN-105175418-A Pentacyclic indole quinolizine inhibiting cell autophagy, synthesis, antitumor activity and application thereof UNIV CAPITAL MEDICAL SCIENCES 2015-12-23 CN disclosed