SCHEMBL5830834

SCHEMBL5830834

OCC(OO)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 1/20 0.48
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 2/20 0.36
TSHR P16473 3/20 0.35
KCNN4 O15554 2/20 0.35
KIF11 P52732 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CYP3A4 P08684 1/20 0.32

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
SCHEMBL11292919 0.79 LMNA (0.45) ALDH1A1ALOX15CYP2C19CYP1A2CYP2C9
SCHEMBL11053988 0.77 ALDH1A1 (0.40) ALDH1A1ALOX15CYP2C19CYP1A2CYP2C9
SCHEMBL9614595 0.77 CYP1A2 (0.54) ALDH1A1ALOX15CYP2C19CYP1A2CYP2C9
SCHEMBL9806646 0.76 HIF1A (0.44) ALDH1A1ALOX15CYP2C19CYP1A2MAPK1
SCHEMBL9806653 0.76 HIF1A (0.44) ALDH1A1ALOX15CYP2C19CYP1A2CYP2C9
SCHEMBL663136 0.76 ALDH1A1 (0.39) ALDH1A1ALOX15CYP2C19CYP1A2CYP2C9
SCHEMBL28647395 0.74 ALDH1A1 (0.39) ALDH1A1ALOX15CYP2C19CYP1A2CYP2C9
SCHEMBL2586141 0.74 KCNN4 (0.34) ALDH1A1ALOX15CYP2C19CYP1A2CYP2C9
SCHEMBL1262257 0.73 ALDH1A1 (0.56) ALDH1A1ALOX15CYP2C19CYP1A2CYP2C9
SCHEMBL6497924 0.73 MAPT (0.42) CYP2C19CYP1A2TSHRKCNN4KIF11

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132092-B2 Metallized mesoporous silicate and method of oxidation with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-11-07 US disclosed
US-20050090688-A1 Metallized mesoporous silicate and method of oxidation with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-04-28 US disclosed
EP-1473275-A1 METALLIZED MESOPOROUS SILICATE AND METHOD OF OXIDATION WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2004-11-03 EP disclosed