SCHEMBL9089274

SCHEMBL9089274

CC(C)(C)OC(=O)N[C@H](CCOc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.58
ITGA2B P08514 1/20 0.58
PPARA Q07869 5/20 0.53
PPARG P37231 4/20 0.53
ACE P12821 1/20 0.52
IDO1 P14902 1/20 0.52
PTPN1 P18031 3/20 0.52
PPARD Q03181 2/20 0.51
CTSK P43235 5/20 0.49
CTSS P25774 3/20 0.49
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
MMP13 P45452 1/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
HDAC8 Q9BY41 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
SCHEMBL9089268 1.00 ITGB3 (0.58) ITGB3ITGA2BPPARAPPARGACE
SCHEMBL9089276 1.00 ITGB3 (0.58) ITGB3ITGA2BPPARAPPARGACE
SCHEMBL29097138 0.91 ITGB3 (0.51) ITGB3ITGA2BPPARAPPARGACE
SCHEMBL1834331 0.90 ITGB3 (0.50) ITGB3ITGA2BPPARAPPARGACE
SCHEMBL1834332 0.90 ITGB3 (0.50) ITGB3ITGA2BPPARAPPARGACE
SCHEMBL11113297 0.88 ITGB3 (0.55) ITGB3ITGA2BPPARAPPARGACE
SCHEMBL11455855 0.87 ITGB3 (0.56) ITGB3ITGA2BPPARAPPARGIDO1
SCHEMBL7309127 0.87 TDP1 (0.53) ITGB3ITGA2BPPARAPPARGCTSK
SCHEMBL7309125 0.87 TDP1 (0.53) ITGB3ITGA2BPPARAPPARGCTSK
SCHEMBL3900422 0.86 ITGB3 (0.48) ITGB3ITGA2BPPARGACEPTPN1

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
US-5578593-A RELEASING GROWTH HORMONES FOR ANIMALS MERCK & CO., INC. (US) 1996-11-26 US disclosed