SCHEMBL28163356

SCHEMBL28163356

CC(=O)O[C@H](NC(=O)c1ccc([C@@H](C(C)=O)c2ccc(CN3CCOCC3)cc2)cc1)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ CACNA1B Q00975 1/20 0.49
▸ APBA1 Q02410 1/20 0.49
▸ SAE1 Q9UBE0 1/20 0.49
▸ UBA2 Q9UBT2 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ RAB9A P51151 5/20 0.48
▸ NPC1 O15118 5/20 0.48
▸ HIF1A Q16665 4/20 0.48
▸ EPAS1 Q99814 4/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ TSHR P16473 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ STAT3 P40763 1/20 0.47
▸ TP53 P04637 1/20 0.46

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 1.00 SMN1; SMN2 (0.49) SMN1; SMN2MAPK1CACNA1BAPBA1SAE1
SCHEMBL28163358 0.89 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1CACNA1BAPBA1SAE1
SCHEMBL28163317 0.80 HIF1A (0.48) SMN1; SMN2MAPK1KDM4ERAB9ANPC1
SCHEMBL28162854 0.79 KMT2A (0.50) SMN1; SMN2MAPK1KDM4ERAB9ANPC1
SCHEMBL28137071 0.77 HRH3 (0.53) SMN1; SMN2MAPK1KDM4ERAB9ANPC1
Formaldehyde SCHEMBL28162776 0.75 KMT2A (0.61) SMN1; SMN2MAPK1KDM4ERAB9ANPC1
SCHEMBL28162851 0.75 KMT2A (0.55) SMN1; SMN2MAPK1KDM4ERAB9ANPC1
SCHEMBL28137827 0.74 KDM4E (0.47) SMN1; SMN2MAPK1KDM4ERAB9ANPC1
SCHEMBL13984667 0.73 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1CACNA1BAPBA1SAE1
SCHEMBL13266877 0.73 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1CACNA1BAPBA1SAE1

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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