SCHEMBL6543337

SCHEMBL6543337

CC(C)(Oc1cccc(CC(=O)NC2CCCCC2)c1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
EPHX2 P34913 3/20 0.58
SIGMAR1 Q99720 1/20 0.53
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CCR8 P51685 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL6543070 0.88 POLB (0.55) POLBEPHX2SIGMAR1CYP1A2CYP3A4
SCHEMBL6542960 0.83 TAAR1 (0.56) EPHX2PPARGPPARASMN1; SMN2MEN1
SCHEMBL30768879 0.83 POLB (0.80) POLBEPHX2SIGMAR1CYP1A2CYP3A4
SCHEMBL2436610 0.79 PPARA (0.51) SIGMAR1PPARGPPARAMEN1KMT2A
SCHEMBL11215916 0.79 PPARG (0.61) PPARGPPARACYP1A2CYP3A4CYP2C19
SCHEMBL5795203 0.78 PPARG (0.64) PPARGPPARACYP1A2CYP3A4CYP2C19
SCHEMBL1800332 0.77 EPHX2 (0.74) POLBEPHX2SIGMAR1MEN1KMT2A
SCHEMBL17896307 0.76 EPHX2 (0.63) POLBEPHX2SIGMAR1SMN1; SMN2MEN1
SCHEMBL7248386 0.76 PPARG (0.61) PPARGPPARACYP1A2CYP3A4CYP2C19
SCHEMBL3397254 0.75 EPHX2 (1.00) POLBEPHX2SIGMAR1MEN1KMT2A

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-1433786-A1 Benzoxazole compound and pharmaceutical composition containing the compound Kowa Company Ltd. (JP) 2004-06-30 EP disclosed
US-6653334-B1 Electively activate peroxisome proliferator activated receptors KOWA CO., LTD. (JP) 2003-11-25 US disclosed