SCHEMBL9877244

SCHEMBL9877244

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.64
LMNA P02545 2/20 0.64
FFAR1 O14842 1/20 0.64
CYP1A2 P05177 1/20 0.64
RAB9A P51151 1/20 0.64
HIF1A Q16665 1/20 0.64
L3MBTL1 Q9Y468 2/20 0.62
HPGD P15428 2/20 0.62
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 2/20 0.60
USP2 O75604 1/20 0.60
MAPT P10636 5/20 0.56
AGTR1 P30556 1/20 0.53
GAA P10253 1/20 0.52
PTPN1 P18031 1/20 0.51
GSK3B P49841 1/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
CYP3A4 P08684 1/20 0.51
HDAC1 Q13547 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
SCHEMBL9877249 0.90 L3MBTL1 (0.58) SMN1; SMN2LMNAFFAR1CYP1A2RAB9A
SCHEMBL8534233 0.82 SMN1; SMN2 (0.84) SMN1; SMN2LMNAFFAR1CYP1A2RAB9A
SCHEMBL2632728 0.79 SMN1; SMN2 (0.72) SMN1; SMN2LMNAFFAR1CYP1A2RAB9A
SCHEMBL8534650 0.79 SMN1; SMN2 (0.72) SMN1; SMN2LMNAFFAR1CYP1A2RAB9A
Fenbufen SCHEMBL11329267 0.78 SMN1; SMN2 (1.00) SMN1; SMN2LMNAFFAR1CYP1A2RAB9A
Fenbufen SCHEMBL25117 0.78 SMN1; SMN2 (1.00) SMN1; SMN2LMNAFFAR1CYP1A2RAB9A
SCHEMBL9877206 0.78 ALOX5 (0.63) FFAR1KMT2AMEN1ALOX5
Hydrochloric Acid SCHEMBL8531645 0.78 KDM4E (0.67) SMN1; SMN2LMNAFFAR1CYP1A2RAB9A
SCHEMBL14380379 0.78 HDAC8 (0.61) SMN1; SMN2LMNAFFAR1CYP1A2RAB9A
SCHEMBL3733726 0.77 SMN1; SMN2 (1.00) SMN1; SMN2LMNAFFAR1CYP1A2RAB9A

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