SCHEMBL11358113

SCHEMBL11358113

CCOC(=O)c1cc2oc3ccc(C(C)C)cc3c(=O)c2nc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 14/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ IKBKE Q14164 3/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ GAA P10253 3/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ ABCC4 O15439 1/20 0.53
▸ TTR P02766 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ OPRD1 P41143 1/20 0.53
▸ PDE4D Q08499 1/20 0.53
▸ PDE3A Q14432 1/20 0.53
▸ GPR35 Q9HC97 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ MAOB P27338 1/20 0.41
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39

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
SCHEMBL11102213 0.88 RAB9A (0.46) TBK1RAB9AIKBKEKDM4EGAA
SCHEMBL11354810 0.87 RAB9A (0.60) TBK1RAB9AKDM4EGAANPC1
SCHEMBL11361695 0.86 TBK1 (0.60) TBK1RAB9AIKBKEKDM4EGAA
SCHEMBL11126292 0.86 RAB9A (0.45) TBK1RAB9AIKBKEKDM4EGAA
SCHEMBL17548698 0.86 TBK1 (0.74) TBK1RAB9AIKBKEKDM4EGAA
SCHEMBL11108156 0.85 MAOB (0.56) TBK1RAB9AKDM4EGAANPC1
SCHEMBL11098818 0.85 RAB9A (0.44) TBK1RAB9AIKBKEKDM4EGAA
SCHEMBL2901850 0.85 TBK1 (0.72) TBK1RAB9AIKBKEKDM4EGAA
SCHEMBL11356293 0.84 MAOB (0.54) TBK1RAB9AKDM4EGAANPC1
SCHEMBL11098817 0.84 RAB9A (0.43) TBK1RAB9AIKBKEKDM4EGAA

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-4299963-A ANTIALLERGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-11-10 — — US claimed
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