SCHEMBL11819381

SCHEMBL11819381

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NOX1 Q9Y5S8 1/20 0.39
▸ TSHR P16473 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ CNR2 P34972 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ MMP12 P39900 1/20 0.36
▸ SLC18A3 Q16572 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ SCN1A P35498 1/20 0.35
▸ SCN2A Q99250 1/20 0.35
▸ SCN3A Q9NY46 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ NPY1R P25929 1/20 0.35

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
SCHEMBL11411007 0.89 MEN1 (0.39) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL11379075 0.87 SLC18A3 (0.44) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL11824826 0.87 PTGS2 (0.38) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL11713942 0.84 KMT2A (0.40) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL11819418 0.83 MMP12 (0.38) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL10473979 0.82 TSHR (0.44) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL11826491 0.80 SCN1A (0.44) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL1059031 0.76 MAPT (0.46) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL11676202 0.73 CNR2 (0.44) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL12930708 0.73 TSHR (0.44) MEN1KMT2ANPC1RAB9ANOX1

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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