SCHEMBL9877206

SCHEMBL9877206

CN(O)C(=O)CCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.63
FFAR1 O14842 3/20 0.62
KMT2A Q03164 2/20 0.56
MMP12 P39900 1/20 0.56
NAAA Q02083 1/20 0.50
FFAR4 Q5NUL3 1/20 0.49
HDAC2 Q92769 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL448875 0.89 ALOX5 (0.77) ALOX5FFAR1KMT2AMEN1
SCHEMBL9877306 0.89 ALOX5 (0.82) ALOX5FFAR1MMP12HDAC2
SCHEMBL7088866 0.88 FFAR1 (0.65) FFAR1KMT2AMMP12NAAAFFAR4
SCHEMBL8699095 0.80 MLYCD (0.64) ALOX5FFAR1KMT2AMMP12MEN1
SCHEMBL8260837 0.78 ALDH1A1 (0.77) FFAR1MMP12NAAAFFAR4HDAC2
SCHEMBL9877244 0.78 SMN1; SMN2 (0.64) ALOX5FFAR1KMT2AMEN1
SCHEMBL8618654 0.77 FFAR1 (1.00) FFAR1MMP12NAAAFFAR4
SCHEMBL1211561 0.77 FFAR1 (1.00) FFAR1MMP12NAAAFFAR4
SCHEMBL10695244 0.77 ALOX5 (1.00) ALOX5KMT2AHDAC2
SCHEMBL9877712 0.77 LTA4H (0.60) ALOX5FFAR1FFAR4HDAC2

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