SCHEMBL9877576

SCHEMBL9877576

CC(C(=O)N(C)O)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.69
PTGS2 P35354 5/20 0.69
MAPT P10636 5/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
ALDH1A1 P00352 3/20 0.69
LMNA P02545 3/20 0.69
CXCR1 P25024 2/20 0.69
CXCR2 P25025 2/20 0.69
CYP3A4 P08684 2/20 0.69
RECQL P46063 1/20 0.69
KDM4E B2RXH2 1/20 0.69
HPGD P15428 1/20 0.69
MAPK1 P28482 1/20 0.69
PMP22 Q01453 1/20 0.69
SLC22A6 Q4U2R8 1/20 0.69
HSD17B10 Q99714 1/20 0.69
CXCL8 P10145 1/20 0.69
THPO P40225 1/20 0.69
HIF1A Q16665 1/20 0.69
GLI1 P08151 2/20 0.58

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
Dexketoprofen SCHEMBL66987 0.82 PTGS1 (1.00) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
R-Ketoprofen SCHEMBL29353694 0.82 PTGS1 (1.00) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
R-Ketoprofen SCHEMBL195303 0.82 PTGS1 (1.00) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
Ketoprofen SCHEMBL3843886 0.82 PTGS1 (1.00) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
Ketoprofen SCHEMBL8577572 0.82 PTGS1 (1.00) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
Dexketoprofen SCHEMBL29396875 0.82 PTGS1 (1.00) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
Ketoprofen SCHEMBL679920 0.82 PTGS1 (1.00) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
Ketoprofen SCHEMBL16757741 0.82 PTGS1 (1.00) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
Ketoprofen SCHEMBL8754790 0.82 PTGS1 (1.00) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
Ketoprofen SCHEMBL2896 0.82 PTGS1 (1.00) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1

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