SCHEMBL28558406

SCHEMBL28558406

COc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)C#CCCO[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.46
▸ ITGA2B P08514 1/20 0.46
▸ PPARG P37231 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ CTSS P25774 7/20 0.42
▸ CTSK P43235 6/20 0.42
▸ CTSB P07858 2/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CACNA1B Q00975 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ ITGB7 P26010 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.39
▸ PTPN1 P18031 2/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ ACE P12821 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ BCL2 P10415 1/20 0.38

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
SCHEMBL20415684 1.00 ITGB3 (0.46) ITGB3ITGA2BPPARGPPARACTSS
SCHEMBL18262422 0.89 LDHA (0.39) ITGB3ITGA2BCTSLALDH1A1
SCHEMBL18262421 0.89 LDHA (0.39) ITGB3ITGA2BCTSLALDH1A1
SCHEMBL28562309 0.89 ITGB3 (0.44) ITGB3ITGA2BPPARGPPARACTSS
SCHEMBL28558404 0.80 ALDH1A1 (0.36) PPARGPPARAALDH1A1LMNA
SCHEMBL18262546 0.79 LDHA (0.36) ITGB3ITGA2BCTSLALDH1A1
SCHEMBL18262544 0.79 LDHA (0.36) ITGB3ITGA2BCTSLALDH1A1
SCHEMBL18262541 0.79 LDHA (0.36) ITGB3ITGA2BCTSLALDH1A1
SCHEMBL22723020 0.79 LDHA (0.37) PPARGPPARAALDH1A1
SCHEMBL22723021 0.79 LDHA (0.37) PPARGPPARAALDH1A1

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-107848962-B Urea derivative or pharmacologically acceptable salt thereof 杏林制药株式会社 2021-04-09 — — CN disclosed
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