SCHEMBL9876864

SCHEMBL9876864

CN(O)C(=O)CCCCCCOc1ccc(-c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 12/20 0.67
HDAC4 P56524 12/20 0.67
HDAC1 Q13547 12/20 0.67
HDAC7 Q8WUI4 12/20 0.67
HDAC2 Q92769 12/20 0.67
HDAC10 Q969S8 12/20 0.67
HDAC11 Q96DB2 12/20 0.67
HDAC8 Q9BY41 12/20 0.67
HDAC6 Q9UBN7 12/20 0.67
HDAC9 Q9UKV0 12/20 0.67
HDAC5 Q9UQL6 12/20 0.67
LTA4H P09960 1/20 0.56
LSS P48449 1/20 0.56
ALOX5 P09917 1/20 0.55
MMP3 P08254 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
SCHEMBL9877712 0.89 LTA4H (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7739114 0.83 HDAC1 (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7738398 0.83 HDAC1 (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3381443 0.83 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1007408 0.83 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7515225 0.83 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7737575 0.81 HDAC1 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4310750 0.81 HDAC3 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9781687 0.81 HDAC1 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9782067 0.81 HDAC1 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2

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