SCHEMBL9877306

SCHEMBL9877306

CN(O)C(=O)CCCCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.82
HDAC2 Q92769 2/20 0.59
HDAC1 Q13547 1/20 0.57
FFAR1 O14842 1/20 0.53
KDM4A O75164 1/20 0.52
KDM5A P29375 1/20 0.52
KDM4C Q9H3R0 1/20 0.52
PHF8 Q9UPP1 1/20 0.52
KDM2A Q9Y2K7 1/20 0.52
MGLL Q99685 3/20 0.51
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MMP12 P39900 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
SCHEMBL10695244 0.90 ALOX5 (1.00) ALOX5HDAC2HDAC1KDM4AKDM5A
SCHEMBL9877206 0.89 ALOX5 (0.63) ALOX5HDAC2FFAR1MMP12
SCHEMBL9662985 0.89 ALOX5 (0.97) ALOX5HDAC2HDAC1KDM4AKDM5A
SCHEMBL8695755 0.82 ALOX5 (0.63) ALOX5HDAC2HDAC1FFAR1KDM4A
SCHEMBL11802541 0.80 HDAC2 (0.66) ALOX5HDAC2HDAC1FFAR1MGLL
SCHEMBL1958621 0.80 FFAR1 (0.75) HDAC2HDAC1FFAR1MGLLMAPT
SCHEMBL11699696 0.79 NPC1 (0.55) ALOX5HDAC2HDAC1FFAR1MGLL
SCHEMBL9876864 0.79 HDAC3 (0.67) ALOX5HDAC2HDAC1
SCHEMBL8716210 0.79 HDAC2 (0.67) ALOX5HDAC2HDAC1FFAR1MGLL
SCHEMBL25169928 0.78 MAPT (0.79) HDAC2HDAC1FFAR1KDM4AKDM5A

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