SCHEMBL11826491

SCHEMBL11826491

CCN(CC(C)OC(C)=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 1/20 0.44
▸ SCN2A Q99250 1/20 0.44
▸ SCN3A Q9NY46 1/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NOX1 Q9Y5S8 1/20 0.43
▸ TSHR P16473 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ GLA P06280 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CNR2 P34972 2/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL11830979 0.88 NPSR1 (0.42) SCN1ASCN2ASCN3ATSHRALDH1A1
SCHEMBL11833911 0.86 SCN1A (0.43) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL11828894 0.85 CNR2 (0.43) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL11835672 0.84 GFER (0.41) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL10937682 0.84 ALDH1A1 (0.56) MEN1KMT2ANPC1RAB9ATSHR
SCHEMBL11379075 0.83 SLC18A3 (0.44) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL11821132 0.81 ALDH1A1 (0.42) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL11713942 0.81 KMT2A (0.40) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL11411007 0.80 MEN1 (0.39) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL11819381 0.80 MEN1 (0.39) SCN1ASCN2ASCN3AMEN1KMT2A

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-3974178-A POLYESTER, POLYAMIDE, POLYACRYLONITRILE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-08-10 — — US disclosed
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