SCHEMBL9419082

SCHEMBL9419082

CC(=O)CC(C)C(=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.67
NR4A2 P43354 3/20 0.62
SMPD1 P17405 1/20 0.56
SRD5A2 P31213 1/20 0.55
PTPN1 P18031 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NR4A1 P22736 1/20 0.53
NR4A3 Q92570 1/20 0.53
MAOA P21397 2/20 0.52
MRGPRX4 Q96LA9 1/20 0.52
GPR132 Q9UNW8 1/20 0.52

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
SCHEMBL9419137 0.90 MAOB (0.64) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL20364678 0.85 MAOB (0.71) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL14490205 0.84 MAOB (0.69) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL669530 0.84 MAOB (0.61) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL29447425 0.84 MAOB (0.61) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL669531 0.84 MAOB (0.61) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL11033672 0.83 MAOB (0.68) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL3492356 0.82 MAOB (0.60) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL16217745 0.82 MAOB (0.66) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL68983 0.81 MAOB (1.00) MAOBNR4A2SMPD1SRD5A2PTPN1

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-5367079-A Lipoxygenase inhibitors; antiinflammatory agents, antiallergens ZENECA LIMITED (GB) 1994-11-22 US disclosed
EP-0570112-A1 Cycloalkane derivatives ZENECA LIMITED (GB) 1993-11-18 EP disclosed