SCHEMBL9577709

SCHEMBL9577709

COCC(=O)c1cccc(OCc2ccc3ccccc3c2)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.55
F2 P00734 2/20 0.54
MAOB P27338 4/20 0.52
NR4A2 P43354 2/20 0.51
PTPN1 P18031 1/20 0.51
ADAM17 P78536 1/20 0.50
SMPD1 P17405 1/20 0.49
MAOA P21397 1/20 0.49

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
SCHEMBL9185100 0.87 MRGPRX4 (0.58) MRGPRX4F2MAOBNR4A2PTPN1
SCHEMBL2503352 0.87 MAOB (0.69) MRGPRX4MAOBNR4A2PTPN1SMPD1
SCHEMBL9226928 0.85 MRGPRX4 (0.60) MRGPRX4F2MAOBNR4A2PTPN1
SCHEMBL9599197 0.85 MRGPRX4 (0.55) MRGPRX4F2MAOBNR4A2PTPN1
SCHEMBL9186121 0.84 MAOB (0.74) MRGPRX4F2MAOBMAOA
SCHEMBL9366253 0.83 MRGPRX4 (0.48) MRGPRX4F2MAOBNR4A2PTPN1
SCHEMBL10662840 0.81 THRA (0.53) MRGPRX4F2MAOBNR4A2PTPN1
SCHEMBL4638462 0.81 F2 (0.68) MRGPRX4F2MAOBNR4A2
SCHEMBL10431898 0.80 MRGPRX4 (0.46) MRGPRX4F2MAOBNR4A2PTPN1
SCHEMBL9079254 0.80 MAPT (0.59) MRGPRX4F2MAOBNR4A2

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
US-5214069-A Lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-05-25 US disclosed
US-5132328-A Lipoxygenase inhibitors as antiinflammatory agents or antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-21 US disclosed
EP-0375368-A2 Alcohol and ether derivatives ZENECA LIMITED (GB) 1990-06-27 EP disclosed