SCHEMBL6021902

SCHEMBL6021902

COC(=O)Cc1cn(C)c2cc(OCc3ccccc3)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.50
PPARD Q03181 2/20 0.50
PPARA Q07869 2/20 0.50
SRD5A2 P31213 1/20 0.46
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
BRD4 O60885 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOB P27338 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 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
SCHEMBL2434205 0.81 NR4A2 (0.58) SRD5A2LTB4RLTB4R2HPGDTSHR
SCHEMBL2433126 0.80 LTB4R (0.55) PPARGPPARDPPARASRD5A2LTB4R
SCHEMBL2085650 0.80 CNR1 (0.47) PPARGPPARDPPARASRD5A2LTB4R
SCHEMBL7448891 0.79 SRD5A2 (0.48) PPARGPPARDPPARASRD5A2NPC1
SCHEMBL2085331 0.79 KDM4E (0.51) MAPTHPGDTSHRKDM4ELMNA
SCHEMBL27732143 0.78 CNR1 (0.49) PPARGPPARDPPARASRD5A2LTB4R
SCHEMBL9525686 0.78 LTB4R (0.59) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL4012453 0.77 KDM4E (0.65) MAPTHPGDTSHRKDM4ELMNA
SCHEMBL31498840 0.77 KDM4E (0.65) MAPTHPGDTSHRKDM4ELMNA
SCHEMBL2081872 0.77 ALDH1A1 (0.40) MAPTHPGDTSHRKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1690538-A1 ISOXAZOLE DERIVATIVE HAVING AGONISTIC ACTIVITY AGAINST PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR SHIONOGI & CO., LTD. (JP) 2006-08-16 EP disclosed