SCHEMBL7549470

SCHEMBL7549470

O=c1cc(O)c2cc(OCc3ccccc3)ccc2o1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
MAOB P27338 4/20 0.61
MAOA P21397 3/20 0.61
NPC1 O15118 2/20 0.61
CASP3 P42574 2/20 0.61
SENP8 Q96LD8 2/20 0.61
SENP7 Q9BQF6 2/20 0.61
SENP6 Q9GZR1 2/20 0.61
RAB9A P51151 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
MEN1 O00255 1/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA3 P07451 1/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
CA7 P43166 1/20 0.59
MTNR1A P48039 1/20 0.59

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
SCHEMBL7549311 0.89 MAOB (0.72) MAOBMAOANPC1CASP3SENP8
SCHEMBL5338193 0.87 MAOB (0.61) PKML3MBTL1MAOBMAOANPC1
SCHEMBL27787867 0.80 KDM4E (0.71) PKML3MBTL1CA12CA1CA4
SCHEMBL8134883 0.80 MAOB (0.70) MAOBMAOANPC1CASP3SENP8
SCHEMBL8134884 0.79 MAOB (0.60) MAOBMAOANPC1CASP3SENP8
SCHEMBL27582367 0.79 CA12 (0.58) PKML3MBTL1MAOBMAOACA12
SCHEMBL26772831 0.78 MAOB (0.80) PKML3MBTL1MAOBMAOANPC1
SCHEMBL11830680 0.77 CA12 (0.58) PKML3MBTL1MEN1CA12CA1
SCHEMBL9615129 0.77 LMNA (0.64) PKML3MBTL1MAOBMAOANPC1
SCHEMBL29116822 0.77 MAOB (0.74) PKML3MBTL1MAOBMAOANPC1

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-0968202-B1 Process for preparing photoactive coumarin dervatives CLARIANT FINANCE BVI LTD (VG) 2002-07-03 EP disclosed
EP-0977747-B1 PHOTOACTIVE COUMARIN DERIVATIVES CLARIANT FINANCE BVI LTD (VG) 2002-06-12 EP disclosed
EP-0977747-A1 PHOTOACTIVE COUMARIN DERIVATIVES CLARIANT INTERNATIONAL LTD. (CH) 2000-02-09 EP disclosed
WO-1998039319-A1 PHOTOACTIVE COUMARIN DERIVATIVES CLARIANT INTERNATIONAL LTD. (CH) 1998-09-11 WO disclosed
US-3974289-A Coumarin derivatives for the treatment of allergies BEECHAM GROUP LIMITED (EN) 1976-08-10 US disclosed