SCHEMBL9877249

SCHEMBL9877249

CN(O)C(=O)CCCC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HPGD P15428 1/20 0.58
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
USP2 O75604 1/20 0.57
LMNA P02545 2/20 0.56
FFAR1 O14842 1/20 0.56
CYP1A2 P05177 1/20 0.56
RAB9A P51151 1/20 0.56
HIF1A Q16665 1/20 0.56
ALOX5 P09917 1/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
MAPT P10636 3/20 0.53
AGTR1 P30556 1/20 0.50
NPC1 O15118 1/20 0.49
PTPN1 P18031 1/20 0.49
GSK3B P49841 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL9877244 0.90 SMN1; SMN2 (0.64) L3MBTL1SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL14380379 0.84 HDAC8 (0.61) L3MBTL1SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL13670598 0.79 KDM4E (0.63) L3MBTL1SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL6606979 0.78 L3MBTL1 (0.79) L3MBTL1SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL9877306 0.78 ALOX5 (0.82) FFAR1ALOX5HDAC1MAPTHDAC2
SCHEMBL4453789 0.77 L3MBTL1 (0.77) L3MBTL1SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL4559590 0.76 SMN1; SMN2 (0.67) L3MBTL1SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL3809685 0.76 SMN1; SMN2 (0.79) L3MBTL1SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL9876864 0.76 HDAC3 (0.67) ALOX5HDAC1HDAC8HDAC3HDAC4
Hydrochloric Acid SCHEMBL8531645 0.76 KDM4E (0.67) L3MBTL1SMN1; SMN2HPGDKDM4EALDH1A1

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