SCHEMBL7409593

SCHEMBL7409593

O=CCc1ccc(-c2ccccc2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GRIA4 P48058 5/20 0.47
DAO P14920 1/20 0.46
MME P08473 1/20 0.45
PTPRC P08575 1/20 0.44
PTPN1 P18031 1/20 0.44
GRM2 Q14416 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
ACMSD Q8TDX5 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40

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
SCHEMBL11453895 0.84 GRIA4 (0.50) ALDH1A1MAPTL3MBTL1GRIA4DAO
SCHEMBL28880915 0.83 ALDH1A1 (0.44) ALDH1A1MAPTL3MBTL1GRIA4DAO
SCHEMBL27652849 0.80 ALDH1A1 (0.45) ALDH1A1MAPTL3MBTL1GRIA4DAO
SCHEMBL8030767 0.80 ALDH1A1 (0.45) ALDH1A1MAPTL3MBTL1GRIA4DAO
SCHEMBL28766105 0.80 ALDH1A1 (0.51) ALDH1A1MAPTL3MBTL1GRIA4DAO
SCHEMBL30423174 0.78 PTGER1 (0.42) KMT2A
SCHEMBL12856701 0.78 PTPRC (0.56) ALDH1A1MAPTL3MBTL1GRIA4PTPRC
SCHEMBL10436027 0.78 GRM2 (0.47) ALDH1A1GRM2PPARGMEN1KMT2A
SCHEMBL15546386 0.78 PTGS1 (0.44) MAPTMEN1TSHRKMT2ASMN1; SMN2
SCHEMBL22294669 0.78 CA12 (0.38) PTPN1GRM2PPARG

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-0979226-A1 ISOXAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-02-16 EP disclosed
WO-1998047880-A1 ISOXAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-10-29 WO disclosed
US-4968702-A ANTIARTHRITIC, INHIBITORS OF PROGRESSIVE JOINT DETERIORATION, IMMUNOSUPPRESSANT AMERICAN CYANAMID COMPANY (US) 1990-11-06 US disclosed