SCHEMBL7744533

SCHEMBL7744533

COc1ccc(C(O)c2ccc(OCc3ccccc3)cc2OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.51
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
ALOX12 P18054 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
BCHE P06276 2/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ABCB1 P08183 1/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL2516365 0.95 MAPT (0.52) MAOBMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL2580792 0.84 FFAR1 (0.48) MAOBMAPTALDH1A1GAACYP1A2
SCHEMBL18637039 0.84 MAOB (0.51) MAOBMAPTSMN1; SMN2ALDH1A1BCHE
SCHEMBL2576276 0.83 LMNA (0.52) MAOBMAPTALDH1A1GAACYP1A2
SCHEMBL6550407 0.82 MEN1 (0.48) MAPTSMN1; SMN2GAAALOX12CYP1A2
SCHEMBL10686479 0.82 LMNA (0.54) MAPTALDH1A1CYP1A2CYP2D6BCHE
SCHEMBL10543846 0.82 MAOB (0.61) MAOBMAPTSMN1; SMN2CYP1A2CYP2D6
SCHEMBL13784398 0.81 MAOB (0.55) MAOBMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL29541486 0.81 FFAR1 (0.46) MAPTSMN1; SMN2ALDH1A1GAAALOX12
SCHEMBL26549169 0.81 LTA4H (0.51) MAOBMAPTSMN1; SMN2ALDH1A1GAA

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-1069940-A1 SOLID PHASE PARALLEL SYNTHESIS SYSTEMS AND METHODS GLAXO GROUP LIMITED (GB) 2001-01-24 EP disclosed
WO-1999032219-A1 SOLID PHASE PARALLEL SYNTHESIS SYSTEMS AND METHODS GLAXO GROUP LIMITED (GB) 1999-07-01 WO disclosed