SCHEMBL12704384

SCHEMBL12704384

CCCCOc1ccc(CN=O)cc1CCC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.39
LTB4R Q15722 1/20 0.39
PTGES O14684 3/20 0.39
ALOX5 P09917 3/20 0.39
PPARD Q03181 4/20 0.38
PPARA Q07869 4/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
AKR1C3 P42330 1/20 0.37
HTT P42858 3/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
APAF1 O14727 1/20 0.37
THRB P10828 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL9891651 0.87 LTB4R (0.41) PPARGLTB4RPTGESALOX5PPARD
SCHEMBL9891650 0.86 PPARG (0.42) PPARGLTB4RPTGESALOX5PPARD
SCHEMBL9889103 0.70 PTGER1 (0.50) AKR1C3HTTMAPTMTNR1AMTNR1B
SCHEMBL18292873 0.70 MAPT (0.48) PPARAMAPTMAPK1MEN1KMT2A
SCHEMBL8036310 0.70 MTNR1A (0.40) MTNR1AMTNR1B
SCHEMBL9889129 0.70 PTGER1 (0.49) ITGB1ITGA4AKR1C3MTNR1AMTNR1B
SCHEMBL2542877 0.69 LTB4R (0.62) PPARGLTB4RPPARAHTTMAPT
SCHEMBL16306929 0.68 SMN1; SMN2 (0.51) PPARGLTB4RPPARDPPARAHTT
SCHEMBL7198061 0.68 LTB4R (0.47) PPARGLTB4RPTGESALOX5HTT
SCHEMBL19792614 0.68 FFAR4 (0.46) MEN1KMT2A

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-2311939-A1 Polypeptide immobilization The University of Chicago (US) 2011-04-20 EP disclosed