SCHEMBL6209712

SCHEMBL6209712

COc1ccc(C(C)c2ccc(OCc3ccccc3)cc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
PABPC1 P11940 1/20 0.56
KMT2A Q03164 1/20 0.56
ACACB O00763 1/20 0.48
ACACA Q13085 1/20 0.48
ALOX5 P09917 1/20 0.45
FFAR1 O14842 1/20 0.44
BCHE P06276 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPT P10636 2/20 0.43
MAOB P27338 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL9950591 0.82 MEN1 (0.63) MEN1PABPC1KMT2AACACBACACA
SCHEMBL6208078 0.79 MEN1 (0.60) MEN1PABPC1KMT2AFFAR1BCHE
SCHEMBL6206366 0.78 MEN1 (0.56) MEN1PABPC1KMT2AACACBACACA
Hydrochloric Acid SCHEMBL6207662 0.78 MEN1 (0.55) MEN1PABPC1KMT2AACACBACACA
SCHEMBL5183041 0.76 MEN1 (0.56) MEN1PABPC1KMT2AFFAR1LMNA
SCHEMBL6208425 0.76 MEN1 (0.56) MEN1PABPC1KMT2AACACBACACA
SCHEMBL7285420 0.76 KMT2A (0.48) MEN1PABPC1KMT2AACACBACACA
SCHEMBL6231187 0.75 MEN1 (0.55) MEN1PABPC1KMT2AACACBACACA
SCHEMBL10022963 0.75 GSTP1 (0.58) ACACBALOX5FFAR1BCHEMAOB
SCHEMBL15340866 0.75 FFAR1 (0.58) ACACBACACAFFAR1LMNAGAA

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-1583749-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE Astellas Pharma Inc. (JP) 2005-10-12 EP disclosed
WO-2004065374-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE ASTELLAS PHARMA INC. (JP) 2004-08-05 WO disclosed