SCHEMBL6168025

SCHEMBL6168025

CSc1ccc(/C(=C\c2ccccc2)C(C)=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.69
AKR1C1 Q04828 4/20 0.69
AKR1C2 P52895 3/20 0.69
MAPT P10636 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 3/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.42

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
SCHEMBL6168027 1.00 AKR1C3 (0.69) AKR1C3AKR1C1AKR1C2MAPTMEN1
SCHEMBL6169890 0.94 AKR1C1 (0.79) AKR1C3AKR1C1AKR1C2MAPTMEN1
SCHEMBL6169895 0.94 AKR1C1 (0.79) AKR1C3AKR1C1AKR1C2MAPTMEN1
SCHEMBL6514407 0.84 AKR1C3 (0.57) AKR1C3AKR1C1AKR1C2MAPTMEN1
SCHEMBL6514404 0.84 AKR1C3 (0.57) AKR1C3AKR1C1AKR1C2MAPTMEN1
SCHEMBL5183481 0.84 AKR1C1 (0.70) AKR1C3AKR1C1AKR1C2MAPTMEN1
SCHEMBL6172379 0.84 AKR1C1 (0.70) AKR1C3AKR1C1AKR1C2MAPTMEN1
SCHEMBL7992874 0.84 AKR1C1 (0.70) AKR1C3AKR1C1AKR1C2MAPTMEN1
SCHEMBL6170751 0.83 AKR1C3 (0.64) AKR1C3AKR1C1AKR1C2MAPTMEN1
SCHEMBL6170757 0.83 AKR1C3 (0.64) AKR1C3AKR1C1AKR1C2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1528059-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle LLC (US) 2005-05-04 EP disclosed
EP-0809636-B1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-04 EP disclosed
EP-1223167-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle & Co. (US) 2002-07-17 EP disclosed
US-5859257-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1999-01-12 US disclosed
EP-0809636-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-12-03 EP disclosed
WO-1996025405-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-22 WO disclosed