SCHEMBL11209178

SCHEMBL11209178

O=c1ccoc2cccc(OCC(O)CS)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.56
▸ MAOA P21397 2/20 0.53
▸ GPR35 Q9HC97 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ ADRB2 P07550 4/20 0.39
▸ NMT2 O60551 2/20 0.36
▸ ADRB1 P08588 2/20 0.36
▸ ADRB3 P13945 2/20 0.36
▸ NMT1 P30419 2/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ATM Q13315 1/20 0.36

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
SCHEMBL10307303 0.82 TDP1 (0.59) MAOBMAOAGPR35TDP1LMNA
SCHEMBL11209177 0.81 MAOB (0.55) MAOBMAOAGPR35TDP1LMNA
SCHEMBL9246335 0.80 GPR35 (0.84) MAOBMAOAGPR35TDP1LMNA
SCHEMBL7767608 0.78 GPR35 (0.60) MAOBMAOAGPR35TDP1LMNA
SCHEMBL11208927 0.78 GPR35 (0.86) GPR35TDP1LMNAMEN1KMT2A
SCHEMBL14544412 0.77 GPR35 (0.65) MAOBMAOAGPR35TDP1LMNA
SCHEMBL11537956 0.76 GPR35 (0.63) MAOBMAOAGPR35TDP1LMNA
SCHEMBL18085022 0.74 GPR35 (0.50) MAOBMAOAGPR35TDP1LMNA
SCHEMBL116724 0.73 GPR35 (0.72) MAOBMAOAGPR35TDP1LMNA
SCHEMBL10517239 0.73 MAOB (0.63) MAOBMAOAGPR35TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0017578-B1 5-(2-HYDROXY-3-THIOPROPOXY)-CHROMON-2-CARBOXYLIC ACIDS, THEIR SALTS AND ESTERS, PROCESS FOR THEIR PREPARATION AND MEDICINES SANOFI S.A. (FR) 1983-03-23 — — EP disclosed
US-4282247-A ANTIANAPHYLACTIC, ANTIALLERGENIC CM INDUSTRIES (FR) 1981-08-04 — — US disclosed
EP-0017578-A1 5-(2-Hydroxy-3-thiopropoxy)-chromon-2-carboxylic acids, their salts and esters, process for their preparation and medicines SANOFI S.A. (FR) 1980-10-15 — — EP disclosed
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