SCHEMBL11357263

SCHEMBL11357263

CCCCc1ccc2oc3cc(C(=O)OCC)c(N)nc3c(=O)c2c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 11/20 0.60
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ IKBKE Q14164 2/20 0.43
▸ CA12 O43570 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA3 P07451 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAOB P27338 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
SCHEMBL11361695 0.91 TBK1 (0.60) TBK1RAB9ANPC1RXFP1IKBKE
SCHEMBL11358711 0.89 TBK1 (0.49) TBK1RAB9ANPC1RXFP1IKBKE
SCHEMBL2906858 0.88 TBK1 (0.59) TBK1RAB9ANPC1IKBKEKDM4E
SCHEMBL19204349 0.86 TBK1 (0.79) TBK1RAB9ANPC1RXFP1IKBKE
SCHEMBL11354810 0.86 RAB9A (0.60) TBK1RAB9ANPC1RXFP1CA12
SCHEMBL11108156 0.84 MAOB (0.56) TBK1RAB9ANPC1RXFP1KDM4E
SCHEMBL11356293 0.83 MAOB (0.54) TBK1RAB9ANPC1RXFP1CA12
SCHEMBL11358113 0.82 TBK1 (0.53) TBK1RAB9ANPC1RXFP1IKBKE
SCHEMBL10823671 0.80 RAB9A (0.58) TBK1RAB9ANPC1RXFP1CA12
SCHEMBL19196856 0.80 TBK1 (0.82) TBK1RAB9ANPC1RXFP1IKBKE

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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