SCHEMBL11113502

SCHEMBL11113502

CCCc1ccc(OCC(C)O)c2c(=O)cc(C(=O)O)oc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.51
LMNA P02545 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PDE5A O76074 4/20 0.49
CYSLTR2 Q9NS75 3/20 0.49
CYSLTR1 Q9Y271 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
HPGD P15428 2/20 0.49
MAPT P10636 1/20 0.49
TBXAS1 P24557 1/20 0.49
ABCB11 O95342 1/20 0.43
HIF1A Q16665 1/20 0.39
POLB P06746 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 2/20 0.37
RXRA P19793 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
SCHEMBL9847122 0.92 GPR35 (0.54) GPR35LMNATDP1PDE5ACYSLTR2
SCHEMBL11109052 0.90 GPR35 (0.54) GPR35LMNATDP1PDE5ACYSLTR2
SCHEMBL11285738 0.90 GPR35 (0.42) GPR35LMNATDP1PDE5ACYSLTR2
SCHEMBL11284294 0.89 MEN1 (0.53) GPR35LMNATDP1PDE5ACYSLTR2
SCHEMBL11288378 0.89 PDE5A (0.44) GPR35LMNATDP1PDE5ACYSLTR2
SCHEMBL11111213 0.88 MAPK1 (0.45) GPR35LMNATDP1PDE5ACYSLTR2
SCHEMBL11314373 0.86 GPR35 (0.44) GPR35LMNATDP1PDE5ACYSLTR2
SCHEMBL11289881 0.86 KDM4E (0.38) GPR35LMNATDP1PDE5ACYSLTR2
SCHEMBL11392900 0.86 GPR35 (0.39) GPR35LMNATDP1PDE5ACYSLTR2
SCHEMBL11114405 0.86 GPR35 (0.53) GPR35LMNATDP1PDE5ACYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230255969-A1 TARGETING IMMUNE PATHOLOGIES INDUCED BY HIGHLY PATHOGENIC CORONAVIRUSES NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-08-17 US claimed
EP-4185286-A1 TARGETING IMMUNE PATHOLOGIES INDUCED BY HIGHLY PATHOGENIC CORONAVIRUSES National University of Singapore (SG) 2023-05-31 EP claimed
WO-2022019828-A1 TARGETING IMMUNE PATHOLOGIES INDUCED BY HIGHLY PATHOGENIC CORONAVIRUSES NATIONAL UNIVERSITY OF SINGAPORE (SG) 2022-01-27 WO claimed
US-4232012-A Composition FISONS LIMITED (GB) 1980-11-04 US claimed
US-4211777-A GASTROINTESTINAL DISORDERS FISONS LIMITED (GB) 1980-07-08 US claimed
US-4151292-A ANTIINFLAMMATORY SIDE EFFECT INHIBITION USING CHROMENE DERIVATIVES, GASTROINTESTINAL DISORDERS FISONS LIMITED (GB) 1979-04-24 US claimed
US-20230255969-A1 TARGETING IMMUNE PATHOLOGIES INDUCED BY HIGHLY PATHOGENIC CORONAVIRUSES NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-08-17 US disclosed
EP-4185286-A1 TARGETING IMMUNE PATHOLOGIES INDUCED BY HIGHLY PATHOGENIC CORONAVIRUSES National University of Singapore (SG) 2023-05-31 EP disclosed
WO-2022019828-A1 TARGETING IMMUNE PATHOLOGIES INDUCED BY HIGHLY PATHOGENIC CORONAVIRUSES NATIONAL UNIVERSITY OF SINGAPORE (SG) 2022-01-27 WO disclosed
EP-0104018-A2 Benzopyran, benzothiapyran and quinoline compounds and pharmaceutical compositions containing them FISONS plc (GB) 1984-03-28 EP disclosed
US-4336194-A Benzyl pyrrolyl methyl carboxylate insecticides and acaricides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-06-22 US disclosed
US-4335048-A ANTIASTHMA FISONS LIMITED (GB) 1982-06-15 US disclosed
US-4335048-A ANTIASTHMA FISONS LIMITED (GB) 1982-06-15 US disclosed
EP-0040489-A1 Mixtures, salts, packages and pharmaceutical compositions containing 5-(2-hydroxypropoxy)-4-oxo-8-propyl-4H-1-benzopyran-2-carboxylic acid or a derivative thereof and an H2 receptor antagonist antihistamine FISONS plc (GB) 1981-11-25 EP disclosed
US-4232012-A Composition FISONS LIMITED (GB) 1980-11-04 US disclosed
US-4232012-A Composition FISONS LIMITED (GB) 1980-11-04 US disclosed
US-4211777-A GASTROINTESTINAL DISORDERS FISONS LIMITED (GB) 1980-07-08 US disclosed
US-4151292-A ANTIINFLAMMATORY SIDE EFFECT INHIBITION USING CHROMENE DERIVATIVES, GASTROINTESTINAL DISORDERS FISONS LIMITED (GB) 1979-04-24 US disclosed
US-4151292-A ANTIINFLAMMATORY SIDE EFFECT INHIBITION USING CHROMENE DERIVATIVES, GASTROINTESTINAL DISORDERS FISONS LIMITED (GB) 1979-04-24 US disclosed