SCHEMBL15086544

SCHEMBL15086544

CC(C)(C)OC(=O)N1CCC(Oc2ccc3cc(-c4nc5ccccc5o4)c(=O)oc3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 6/20 0.51
▸ KDM4E B2RXH2 6/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ MAPT P10636 5/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ HPGD P15428 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ GLA P06280 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ CHEK2 O96017 1/20 0.43
▸ CETP P11597 1/20 0.43

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
SCHEMBL16670160 0.88 KDM4E (0.52) KDM4EALDH1A1MAPTNPC1HPGD
SCHEMBL16674817 0.81 KDM4E (0.59) GPR119KDM4EALDH1A1MAPTNPC1
SCHEMBL15069376 0.80 PRKCZ (0.60) GPR119KDM4EALDH1A1MAPTNPC1
SCHEMBL15065843 0.77 GPR119 (0.46) GPR119CHEK2MAOBHRH3
SCHEMBL15086426 0.77 GPR119 (0.46) GPR119CHEK2MAOBHRH3
SCHEMBL7455853 0.76 GPR119 (0.59) GPR119ALDH1A1KMT2AMEN1CHEK2
SCHEMBL381288 0.74 KDM4E (0.67) KDM4EALDH1A1MAPTNPC1HPGD
SCHEMBL17981380 0.73 PIK3CD (0.46) GPR119CHEK2PRKCZHRH3PRMT5
SCHEMBL15069736 0.73 KDM4E (0.48) GPR119KDM4EALDH1A1MAPTHPGD
SCHEMBL15065810 0.73 KDM4E (0.48) GPR119KDM4EALDH1A1MAPTHPGD

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
WO-2013101974-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-07-04 — — WO disclosed
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