SCHEMBL11548704

SCHEMBL11548704

Cc1ccc2oc3cc(C(=O)O)c(O)nc3c(=O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.57
▸ RAB9A P51151 8/20 0.57
▸ KDM4E B2RXH2 7/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ HPGD P15428 2/20 0.57
▸ PKM P14618 2/20 0.57
▸ MAPT P10636 5/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ MEN1 O00255 6/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ HTT P42858 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA4 P22748 1/20 0.47
▸ CA6 P23280 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ CA5A P35218 1/20 0.47
▸ CA7 P43166 1/20 0.47

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
SCHEMBL2904833 0.89 KDM4E (0.56) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL11406353 0.86 NPC1 (0.56) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL11355901 0.84 RAB9A (0.61) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL11364300 0.84 TBK1 (0.47) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL11545315 0.84 KDM4E (0.56) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL11574834 0.84 NPC1 (0.54) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL11356167 0.83 TBK1 (0.52) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL11546384 0.80 TBK1 (0.50) TBK1IKBKE
SCHEMBL11549501 0.76 MEN1 (0.70) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL11549538 0.74 KDM4E (0.56) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2

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-4143042-A ANTIALLERGENS, BRONCHODILATOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-03-06 — — US claimed
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