SCHEMBL27324486

SCHEMBL27324486

CC(=O)C1CC(c2ccc(OCc3ccccc3)cc2)=NO1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.76
CA2 P00918 3/20 0.76
LMNA P02545 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MEN1 O00255 1/20 0.58
TSHR P16473 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MIF P14174 3/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAOB P27338 1/20 0.49

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
SCHEMBL8941399 0.76 CA1 (0.56) CA1CA2LMNASMN1; SMN2MEN1
SCHEMBL7222183 0.74 CA1 (0.64) CA1CA2LMNASMN1; SMN2MEN1
SCHEMBL10388931 0.73 POLB (0.65) CA1CA2LMNASMN1; SMN2MEN1
SCHEMBL3981403 0.72 LMNA (0.56) CA1CA2LMNASMN1; SMN2MEN1
SCHEMBL7451017 0.70 POLB (0.73) CA1CA2LMNASMN1; SMN2MEN1
Bicarbonate SCHEMBL9638235 0.70 FFAR1 (0.71) LMNACYP1A2MAOB
SCHEMBL9126144 0.69 MAOB (0.90) LMNASMN1; SMN2L3MBTL1MAOB
SCHEMBL20876895 0.69 NR4A2 (0.51) CA1CA2LMNACYP1A2RAB9A
SCHEMBL2727830 0.69 NR4A2 (0.51) CA1CA2LMNACYP1A2RAB9A
SCHEMBL2713179 0.69 NR4A2 (0.51) CA1CA2LMNACYP1A2RAB9A

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
CN-1035054-C Novel isoxazolines as antiinflammatory agents PFIZER (US) 1997-06-04 CN disclosed
CN-1091132-A New De isoxazolines as antiinflammatory agents PFIZER (US) 1994-08-24 CN disclosed