SCHEMBL7546749

SCHEMBL7546749

O=c1cc(O)c2c(OCc3ccccc3)cccc2o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.60
ACHE P22303 1/20 0.60
MAOB P27338 5/20 0.56
EDNRA P25101 1/20 0.55
ABCB1 P08183 2/20 0.50
MAPT P10636 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.49
HTR2B P41595 1/20 0.49
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA9 Q16790 2/20 0.47
NPC1 O15118 2/20 0.47
MAOA P21397 2/20 0.47
MEN1 O00255 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA7 P43166 1/20 0.47
MTNR1A P48039 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
SCHEMBL9879438 0.81 CYP2A6 (0.57) MAPTCA12CA1CA9MEN1
SCHEMBL5340608 0.80 MAOB (0.50) BCHEACHEMAOBCA12CA1
SCHEMBL27582314 0.79 CA12 (0.44) BCHEACHECA12CA1CA9
SCHEMBL9847128 0.77 GPR35 (0.70) BCHEACHEMAOBEDNRAABCB1
SCHEMBL11452110 0.77 KCNA3 (0.65) MAOBCA12CA1CA9NPC1
SCHEMBL29853607 0.76 ACHE (0.59) BCHEACHEMAOBEDNRAABCB1
SCHEMBL28199307 0.76 BCHE (0.59) BCHEACHEMAOBEDNRAABCB1
SCHEMBL5342730 0.76 MAOA (0.56) EDNRAMAPTCA12CA1CA9
SCHEMBL6702416 0.75 CA9 (0.64) BCHEACHEMAOBMAPTCA12
SCHEMBL11095625 0.75 HSD17B3 (0.63) MAOBCA12CA9NPC1MAOA

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 8 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
CN-1254338-A Process for preparing photoactive coumarin derivatives HOECHST CELANESE CORP (CH) 2000-05-24 CN disclosed
CN-1251584-A Photoactive coumarin derivatives HOECHST CELANESE INTERNATIONAL (CH) 2000-04-26 CN disclosed
EP-0977747-A1 PHOTOACTIVE COUMARIN DERIVATIVES CLARIANT INTERNATIONAL LTD. (CH) 2000-02-09 EP disclosed
EP-0968202-A1 PROCESS FOR PREPARING PHOTOACTIVE COUMARIN DERIVATIVES CLARIANT INTERNATIONAL LTD. (CH) 2000-01-05 EP disclosed
WO-1998039317-A1 PROCESS FOR PREPARING PHOTOACTIVE COUMARIN DERIVATIVES CLARIANT INTERNATIONAL LTD. (CH) 1998-09-11 WO disclosed
WO-1998039319-A1 PHOTOACTIVE COUMARIN DERIVATIVES CLARIANT INTERNATIONAL LTD. (CH) 1998-09-11 WO disclosed