SCHEMBL11364300

SCHEMBL11364300

CCc1ccc2oc3cc(C(=O)O)c(O)nc3c(=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 10/20 0.47
▸ IKBKE Q14164 5/20 0.47
▸ POLB P06746 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ PKM P14618 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TSHR P16473 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ ABCC4 O15439 1/20 0.39
▸ TTR P02766 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ PDE4D Q08499 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
SCHEMBL2907432 0.89 TBK1 (0.56) TBK1IKBKEKDM4ENPC1PKM
SCHEMBL11546384 0.89 TBK1 (0.50) TBK1IKBKE
SCHEMBL11362855 0.88 RAB9A (0.51) TBK1IKBKEPOLBKDM4ENPC1
SCHEMBL11374157 0.88 TBK1 (0.44) TBK1IKBKEPOLBKDM4ENPC1
SCHEMBL11366885 0.87 RAB9A (0.49) TBK1KDM4ENPC1ALDH1A1RAB9A
SCHEMBL11098702 0.87 TBK1 (0.43) TBK1IKBKEPOLBKDM4ENPC1
SCHEMBL11359964 0.85 TBK1 (0.42) TBK1IKBKEPOLBKDM4ENPC1
SCHEMBL11369213 0.85 TBK1 (0.42) TBK1IKBKEPOLBKDM4ENPC1
SCHEMBL11550983 0.84 POLB (0.43) TBK1IKBKEPOLBKDM4ENPC1
SCHEMBL11548704 0.84 NPC1 (0.57) TBK1IKBKEPOLBKDM4ENPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4143042-A ANTIALLERGENS, BRONCHODILATOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-03-06 — — US claimed
US-4302463-A ANTIALLERGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-11-24 — — US disclosed
US-4299963-A ANTIALLERGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-11-10 — — US disclosed
US-4143042-A ANTIALLERGENS, BRONCHODILATOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-03-06 — — US disclosed
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