SCHEMBL11545315

SCHEMBL11545315

COc1ccc2oc3cc(C(=O)O)c(O)nc3c(=O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.56
▸ ALDH1A1 P00352 7/20 0.56
▸ HPGD P15428 6/20 0.56
▸ MAPT P10636 3/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ CASP3 P42574 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ SENP8 Q96LD8 1/20 0.56
▸ SENP7 Q9BQF6 1/20 0.56
▸ SENP6 Q9GZR1 1/20 0.56
▸ CA12 O43570 2/20 0.50
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ CA3 P07451 2/20 0.50
▸ CA5A P35218 2/20 0.50
▸ CA7 P43166 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ CA14 Q9ULX7 2/20 0.50
▸ CA5B Q9Y2D0 2/20 0.50

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
SCHEMBL2910718 0.89 KDM4E (0.55) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL11549538 0.88 KDM4E (0.56) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL11364474 0.85 MAOB (0.55) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL11548704 0.84 NPC1 (0.57) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL11364300 0.81 TBK1 (0.47) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL11369839 0.80 KDM4E (0.55) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL11356167 0.80 TBK1 (0.52) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL11546384 0.77 TBK1 (0.50) —
SCHEMBL11360715 0.77 RAB9A (0.56) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL11356293 0.76 MAOB (0.54) KDM4EALDH1A1HPGDMAPTNPC1

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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