SCHEMBL9353033

SCHEMBL9353033

C1=C(c2cccc(OCc3ccc4ccccc4c3)c2)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.48
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
RAB9A P51151 1/20 0.43
F2 P00734 1/20 0.42

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
SCHEMBL30317738 0.84 MAOB (0.49) ALOX5PRMT5WDR77
SCHEMBL5266330 0.84 MAOB (0.49) ALOX5PRMT5WDR77
SCHEMBL11146097 0.77 TDP1 (0.54) ALOX5TDP1RAB9A
SCHEMBL22816808 0.77 GSTP1 (0.50)
SCHEMBL421030 0.74 ALOX15 (0.50) PRMT5WDR77RAB9A
SCHEMBL2572521 0.74 PRMT5 (0.46) PRMT5WDR77TDP1
SCHEMBL10041855 0.74 MAOB (0.50) RAB9A
SCHEMBL1257312 0.73 RAB9A (0.50) PRMT5WDR77RAB9A
SCHEMBL17072360 0.72 GSTP1 (0.49) RAB9A
SCHEMBL8994871 0.72 RAB9A (0.67) ALOX5TLR4TLR2RAB9AF2

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-0375452-B1 Cycloalkane derivatives ICI PLC (GB) 1994-10-05 EP disclosed
US-5105020-A Lopoxygerase inhibitors; antiinflammatory agents, antiallergens IMPERIAL CHEMISTRIES INDUSTRIES PLC (GB) 1992-04-14 US disclosed
EP-0375452-A2 Cycloalkane derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-27 EP disclosed