SCHEMBL28163358

SCHEMBL28163358

CC(=O)OC(NC(=O)c1ccc(CC(=O)Cc2ccc(CN3CCOCC3)cc2)cc1)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ CACNA1B Q00975 1/20 0.51
▸ APBA1 Q02410 1/20 0.51
▸ SAE1 Q9UBE0 1/20 0.51
▸ UBA2 Q9UBT2 1/20 0.51
▸ RAB9A P51151 5/20 0.50
▸ NPC1 O15118 5/20 0.50
▸ HIF1A Q16665 4/20 0.50
▸ EPAS1 Q99814 4/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ TSHR P16473 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ STAT3 P40763 1/20 0.48
▸ TP53 P04637 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
SCHEMBL28163359 0.89 SMN1; SMN2 (0.49) SMN1; SMN2MAPK1KDM4ECACNA1BAPBA1
SCHEMBL28163356 0.89 SMN1; SMN2 (0.49) SMN1; SMN2MAPK1KDM4ECACNA1BAPBA1
SCHEMBL28163318 0.76 HIF1A (0.51) SMN1; SMN2MAPK1KDM4ERAB9ANPC1
SCHEMBL13266877 0.75 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1KDM4ECACNA1BAPBA1
SCHEMBL13984667 0.75 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1KDM4ECACNA1BAPBA1
SCHEMBL3020468 0.72 SMN1; SMN2 (0.53) SMN1; SMN2MAPK1KDM4ECACNA1BAPBA1
SCHEMBL3020471 0.72 SMN1; SMN2 (0.53) SMN1; SMN2MAPK1KDM4ECACNA1BAPBA1
SCHEMBL28162853 0.72 KMT2A (0.67) SMN1; SMN2KDM4ERAB9ANPC1HIF1A
SCHEMBL28137072 0.72 HPGD (0.58) SMN1; SMN2KDM4ERAB9ANPC1HIF1A
SCHEMBL13266952 0.72 SMN1; SMN2 (0.55) SMN1; SMN2MAPK1KDM4ECACNA1BAPBA1

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-107021895-A Antiseptic 尔察祯有限公司 2017-08-08 — — CN disclosed
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