SCHEMBL6206497

SCHEMBL6206497

COc1ccc(C(=O)C(c2ccc(OCc3ccccc3)cc2)C(OC(C)=O)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
FFAR1 O14842 5/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PLA2G4B P0C869 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46

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
SCHEMBL6206768 1.00 MAOB (0.52) MAOBSMN1; SMN2RAB9ANPC1POLB
SCHEMBL6207441 0.86 TDP1 (0.46) SMN1; SMN2RAB9ANPC1POLBL3MBTL1
SCHEMBL6207388 0.81 ALDH1A1 (0.43) SMN1; SMN2RAB9ANPC1POLBPARP10
SCHEMBL6208081 0.80 RAB9A (0.59) MAOBSMN1; SMN2RAB9ANPC1POLB
SCHEMBL6207298 0.80 RAB9A (0.59) MAOBSMN1; SMN2RAB9ANPC1POLB
SCHEMBL6207300 0.79 RAB9A (0.58) MAOBSMN1; SMN2RAB9ANPC1POLB
SCHEMBL6210392 0.79 RAB9A (0.58) MAOBSMN1; SMN2RAB9ANPC1POLB
SCHEMBL6208904 0.79 RAB9A (0.58) MAOBSMN1; SMN2RAB9ANPC1POLB
SCHEMBL6539741 0.78 TNF (0.47) MAOBSMN1; SMN2RAB9ANPC1POLB
Hydrochloric Acid SCHEMBL6207459 0.78 RAB9A (0.57) MAOBSMN1; SMN2RAB9ANPC1POLB

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