SCHEMBL16448788

SCHEMBL16448788

O=COCc1coc2cc(O)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.51
▸ KMT2A Q03164 3/20 0.49
▸ POLB P06746 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CA12 O43570 1/20 0.44
▸ AKR1B10 O60218 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TTR P02766 1/20 0.44
▸ ESR1 P03372 1/20 0.44

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
SCHEMBL13524013 0.81 PIM1 (0.54) PIM1KMT2APOLBMEN1GAA
SCHEMBL28105832 0.79 MAOB (0.49) CYP19A1MAOAMAOBHDAC6
SCHEMBL16448790 0.78 HSD17B3 (0.60) PIM1KMT2APOLBMEN1GAA
SCHEMBL742927 0.76 PIM1 (0.55) PIM1KMT2APOLBMEN1GAA
SCHEMBL28818101 0.75 PIM1 (0.54) PIM1KMT2APOLBMEN1GAA
SCHEMBL205825 0.74 ALOX15 (0.69) PIM1KMT2APOLBMEN1GAA
SCHEMBL3927927 0.74 KMT2A (0.49) KMT2APOLBMEN1KDM4EALDH1A1
SCHEMBL743339 0.73 PIM1 (0.52) PIM1KMT2APOLBMEN1GAA
SCHEMBL3133971 0.73 POLB (0.56) PIM1KMT2APOLBMEN1GAA
SCHEMBL437460 0.73 GAA (0.67) PIM1KMT2APOLBMEN1GAA

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-8952185-B2 Production method of optically active dihydrobenzofuran derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-10 — — US disclosed
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