SCHEMBL10691751

SCHEMBL10691751

CC(C(=O)N(O)CCc1ccccc1)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLI1 P08151 5/20 0.69
GLI2 P10070 5/20 0.69
ALOX5 P09917 1/20 0.66
PTGS1 P23219 4/20 0.58
PTGS2 P35354 4/20 0.58
MAPT P10636 4/20 0.58
ALDH1A1 P00352 3/20 0.58
CXCR1 P25024 2/20 0.58
CXCR2 P25025 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 2/20 0.58
CYP3A4 P08684 2/20 0.58
RECQL P46063 1/20 0.58
KDM4E B2RXH2 1/20 0.58
HPGD P15428 1/20 0.58
MAPK1 P28482 1/20 0.58
PMP22 Q01453 1/20 0.58
SLC22A6 Q4U2R8 1/20 0.58
HSD17B10 Q99714 1/20 0.58
CXCL8 P10145 1/20 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
SCHEMBL9877576 0.80 PTGS1 (0.69) GLI1GLI2PTGS1PTGS2MAPT
SCHEMBL10692939 0.80 ALOX5 (1.00) GLI1GLI2ALOX5SMN1; SMN2KMT2A
SCHEMBL10694238 0.75 ALOX5 (0.76) ALOX5PTGS1PTGS2CXCR1CXCR2
R-Ketoprofen SCHEMBL195303 0.75 PTGS1 (1.00) PTGS1PTGS2MAPTALDH1A1CXCR1
R-Ketoprofen SCHEMBL29353694 0.75 PTGS1 (1.00) PTGS1PTGS2MAPTALDH1A1CXCR1
Ketoprofen SCHEMBL3843886 0.75 PTGS1 (1.00) PTGS1PTGS2MAPTALDH1A1CXCR1
Ketoprofen SCHEMBL679920 0.75 PTGS1 (1.00) PTGS1PTGS2MAPTALDH1A1CXCR1
Ketoprofen SCHEMBL16757741 0.75 PTGS1 (1.00) PTGS1PTGS2MAPTALDH1A1CXCR1
Ketoprofen SCHEMBL8754790 0.75 PTGS1 (1.00) PTGS1PTGS2MAPTALDH1A1CXCR1
Dexketoprofen SCHEMBL29396875 0.75 PTGS1 (1.00) PTGS1PTGS2MAPTALDH1A1CXCR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0196674-A2 Hydroxamates as modulators of arachidonic acid metabolic pathways USV PHARMACEUTICAL CORPORATION (US) 1986-10-08 EP claimed
US-4792560-A ANTIALLERGENS; ANTIINFLAMMATORY AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1988-12-20 US disclosed
EP-0196674-A2 Hydroxamates as modulators of arachidonic acid metabolic pathways USV PHARMACEUTICAL CORPORATION (US) 1986-10-08 EP disclosed