SCHEMBL29838907

SCHEMBL29838907

O=C(N[C@@H](Cc1ccc(O)c(OCc2ccccc2)c1)C(=O)O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.56
ITGA2B P08514 11/20 0.56
TYR P14679 2/20 0.54
ITGAV P06756 2/20 0.52
TACR1 P25103 2/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MME P08473 1/20 0.49
ECE1 P42892 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
SCHEMBL17685892 1.00 ITGB3 (0.56) ITGB3ITGA2BTYRITGAVTACR1
SCHEMBL28806164 0.96 ITGB3 (0.53) ITGB3ITGA2BTYRTACR1CTSL
SCHEMBL28806163 0.96 ITGB3 (0.53) ITGB3ITGA2BTYRTACR1CTSL
SCHEMBL9744259 0.93 TYR (0.58) ITGB3ITGA2BTYRTACR1CTSL
SCHEMBL23086011 0.91 CTSL (0.52) ITGB3ITGA2BTYRTACR1CTSL
SCHEMBL3643477 0.91 ITGB3 (0.58) ITGB3ITGA2BTYRITGAVTACR1
SCHEMBL3643481 0.91 ITGB3 (0.58) ITGB3ITGA2BTYRITGAVTACR1
SCHEMBL27001675 0.90 CAPN1 (0.60) CTSLCTSBCTSS
SCHEMBL27132012 0.90 CAPN1 (0.60) CTSLCTSBCTSS
SCHEMBL9825306 0.90 ITGA4 (0.57) ITGB3ITGA2BTYRITGAVCTSL

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
WO-2022191338-A1 LEVODOPA-PRODRUGS AND CARBIDOPA-PRODRUGS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2022-09-15 WO disclosed