SCHEMBL9879730

SCHEMBL9879730

O=C1CCC(CCc2ccc(OCc3ccccc3)cc2)N1O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.49
FFAR4 Q5NUL3 1/20 0.49
LTA4H P09960 1/20 0.47
EPHX2 P34913 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HRH3 Q9Y5N1 4/20 0.46
S1PR5 Q9H228 1/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MGLL Q99685 2/20 0.43

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
SCHEMBL9876918 0.87 SLC18A2 (0.49)
SCHEMBL9877820 0.82 NAAA (0.43) FFAR1
SCHEMBL7859396 0.71 LTA4H (0.56) FFAR1FFAR4LTA4HEPHX2NPC1
SCHEMBL11359999 0.69 LTA4H (0.54) FFAR1FFAR4LTA4HEPHX2RAB9A
SCHEMBL10758966 0.68 MEN1 (0.52) FFAR1
SCHEMBL3421201 0.67 LMNA (0.85) FFAR1FFAR4LTA4HEPHX2RAB9A
SCHEMBL5700 0.67 LTA4H (0.80) FFAR1FFAR4LTA4HEPHX2RAB9A
SCHEMBL11031319 0.67 SLC18A2 (0.42)
SCHEMBL3988138 0.67 FFAR1 (0.65) FFAR1FFAR4LTA4HEPHX2RAB9A
Benzyloxyphenylpropanoic Acid SCHEMBL1134648 0.67 FFAR1 (1.00) FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5036157-A Hydroxamic acid derivatives, lipoxygenase and cyclooxygenase inhibitors, anticoagulants, antiinflammatory agents BURROUGHS WELLCOME CO. 1991-07-30 US disclosed
US-4977188-A Hydroamic acid derivatives BURROUGHS WELLCOME CO. (US) 1990-12-11 US disclosed
WO-1990001929-A1 NEW MEDICAL USE THE WELLCOME FOUNDATION LIMITED (GB) 1990-03-08 WO disclosed
US-4738986-A CYCLOOXYGENASE, LIDOXYGENASE INHIBITORS BURROUGHS WELLCOME CO. (US) 1988-04-19 US disclosed
EP-0196184-A2 Aryl derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1986-10-01 EP disclosed