SCHEMBL2770699

SCHEMBL2770699

O=COC=Cc1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 3/20 0.54
APP P05067 4/20 0.50
CA12 O43570 4/20 0.50
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA7 P43166 4/20 0.50
CA9 Q16790 4/20 0.50
CA14 Q9ULX7 4/20 0.50
TYR P14679 4/20 0.50
CYP2C9 P11712 3/20 0.50
CA3 P07451 3/20 0.50
CA4 P22748 3/20 0.50
CA6 P23280 3/20 0.50
CA5A P35218 3/20 0.50
CA5B Q9Y2D0 3/20 0.50
MAOB P27338 3/20 0.50
AKR1B1 P15121 3/20 0.50
CA13 Q8N1Q1 2/20 0.50

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
SCHEMBL6901265 0.86 APP (0.58) KDM4EALDH1A1MAPTAPPCA12
SCHEMBL14394762 0.78 TRPA1 (0.47) ALDH1A1MAPTCYP2C9MAOBLMNA
SCHEMBL10299701 0.78 CYP2C19 (0.39) KDM4EALDH1A1MAPTCYP2C9MAOB
SCHEMBL4570689 0.78 ALDH1A1 (0.48) KDM4EALDH1A1MAPTTYRLMNA
SCHEMBL19248513 0.78 HCAR2 (0.57) KDM4EALDH1A1MAPTAPPCA12
SCHEMBL12298544 0.77 ALDH1A1 (0.50) ALDH1A1MAPTCYP2C9MAOBLMNA
SCHEMBL173274 0.77 ALDH1A1 (0.50) ALDH1A1MAPTCYP2C9MAOBLMNA
Ammonia Solution, Strong SCHEMBL17394609 0.76 ALDH1A1 (0.48) ALDH1A1MAPTCYP2C9MAOBLMNA
SCHEMBL14152885 0.74 JUN (0.47) KDM4EALDH1A1MAPTCYP2C9MEN1
SCHEMBL9702187 0.74 CYP1A2 (0.52) KDM4EALDH1A1MAPTMEN1LMNA

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
EP-1942214-B1 POLYESTER FIBER AND TEXTILE PRODUCT COMPRISING THE SAME TORAY INDUSTRIES (JP) 2010-04-21 EP disclosed
US-20090182070-A1 POLYESTER FIBER AND TEXTILE PRODUCT COMPRISING THE SAME TORAY INDUSTRIES, INC. (JP) 2009-07-16 US disclosed
EP-1942214-A1 POLYESTER FIBER AND TEXTILE PRODUCT COMPRISING THE SAME TORAY INDUSTRIES, INC. (JP) 2008-07-09 EP disclosed