SCHEMBL8800682

SCHEMBL8800682

O=C(Cc1ccccc1)c1cccc(OCF)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 6/20 0.55
PTPN1 P18031 1/20 0.55
MAOB P27338 2/20 0.52
SMPD1 P17405 1/20 0.50
SRD5A2 P31213 1/20 0.49
PLAU P00749 1/20 0.48
CYP19A1 P11511 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
DDR1 Q08345 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HSD11B1 P28845 1/20 0.45

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
SCHEMBL7901142 0.86 NR4A2 (0.74) NR4A2PTPN1MAOBSMPD1SRD5A2
SCHEMBL11639201 0.84 ERCC5 (0.62) NR4A2PTPN1MAOBSMPD1SRD5A2
SCHEMBL4708458 0.83 ERCC5 (0.65) NR4A2PTPN1MAOBSRD5A2PLAU
SCHEMBL1515775 0.81 MEN1 (0.61) MRGPRX4MEN1KMT2AL3MBTL1HSD11B1
SCHEMBL5009881 0.80 NR4A2 (0.65) NR4A2SRD5A2MRGPRX4KMT2A
SCHEMBL9671290 0.78 ERCC5 (0.63) NR4A2PTPN1MAOBERCC5FEN1
SCHEMBL9526431 0.77 NR4A2 (0.69) NR4A2PTPN1MAOBSMPD1SRD5A2
SCHEMBL7914285 0.76 L3MBTL1 (0.61) NR4A2PTPN1MAOBSMPD1MRGPRX4
SCHEMBL1515848 0.76 CES2 (0.55) NR4A2SRD5A2PLAUMEN1KMT2A
SCHEMBL27674694 0.76 NR4A2 (0.46) NR4A2MAOBSMPD1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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