SCHEMBL3927927

SCHEMBL3927927

O=COc1coc2cc(O)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KDM4E B2RXH2 7/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ HSD17B10 Q99714 6/20 0.48
▸ HPGD P15428 5/20 0.48
▸ TTR P02766 2/20 0.48
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ CA12 O43570 1/20 0.46
▸ AKR1B10 O60218 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ ALDH2 P05091 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46

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
SCHEMBL437186 0.75 KMT2A (0.51) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL6589927 0.75 MAOB (0.49) KDM4EALDH1A1MAPTMAOAMAOB
SCHEMBL16448788 0.74 PIM1 (0.51) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL13080558 0.74 KDM4E (0.50) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL32691417 0.71 KMT2A (0.44) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL4247045 0.70 KDM4E (0.54) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL29972769 0.70 KDM4E (0.54) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL29954829 0.70 PTPN1 (0.61) KDM4EALDH1A1HSD17B10HPGDTTR
SCHEMBL13524013 0.70 PIM1 (0.54) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL1861100 0.70 PTPN1 (0.61) KDM4EALDH1A1HSD17B10HPGDTTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2248812-B1 FUSED CYCLIC COMPOUNDS AS GPR40 RECEPTOR MODULATORS TAKEDA PHARMACEUTICAL (JP) 2013-12-25 — — EP disclosed
CN-103083307-A Fused ring compound TAKEDA PHARMACEUTICAL 2013-05-08 — — CN disclosed
CN-103070854-A Fused ring compound TAKEDA PHARMACEUTICAL 2013-05-01 — — CN disclosed
EP-2041123-A2 FUSED CYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-04-01 — — EP disclosed
WO-2008001931-A2 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-03 — — WO disclosed
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