SCHEMBL9599197

SCHEMBL9599197

CCCC(=O)c1cccc(OCc2ccc3ccccc3c2)c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 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
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
SCHEMBL10662840 0.91 THRA (0.53) MRGPRX4F2MAOBNR4A2PTPN1
SCHEMBL9185100 0.90 MRGPRX4 (0.58) MRGPRX4F2MAOBNR4A2PTPN1
SCHEMBL31279691 0.87 MAOB (0.69) MRGPRX4MAOBNR4A2PTPN1MAOA
SCHEMBL9577709 0.85 MRGPRX4 (0.55) MRGPRX4F2MAOBNR4A2PTPN1
SCHEMBL9151518 0.84 MRGPRX4 (0.58) MRGPRX4F2MAOBNR4A2PTPN1
SCHEMBL9186121 0.84 MAOB (0.74) MRGPRX4F2MAOBMAOA
SCHEMBL9079254 0.82 MAPT (0.59) MRGPRX4F2MAOBNR4A2
SCHEMBL4638462 0.81 F2 (0.68) MRGPRX4F2MAOBNR4A2
SCHEMBL10431898 0.80 MRGPRX4 (0.46) MRGPRX4F2MAOBNR4A2PTPN1
SCHEMBL9226928 0.80 MRGPRX4 (0.60) MRGPRX4F2MAOBNR4A2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5196422-A Antiinflammatory agents, antiallergens ICI PHARMA (FR) 1993-03-23 US disclosed
US-5089513-A Antiinflammatory agents; antiallergens; asthma; side effect reduction ICI PHARMA (FR) 1992-02-18 US disclosed