SCHEMBL28099697

SCHEMBL28099697

COC(=O)C=C(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
CES2 O00748 7/20 0.47
CES1 P23141 7/20 0.47
HPGD P15428 2/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.41
SRC P12931 1/20 0.41
KDM4E B2RXH2 1/20 0.40
AKR1C1 Q04828 1/20 0.40

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
SCHEMBL12268119 0.87 AKR1C1 (0.50) TSHRCES2CES1HPGDALDH1A1
SCHEMBL3681269 0.85 TSHR (0.48) TSHRCES2CES1HPGDALDH1A1
SCHEMBL6394005 0.85 TSHR (0.48) TSHRCES2CES1HPGDALDH1A1
SCHEMBL10353495 0.85 ALDH1A1 (0.53) TSHRCES2CES1HPGDALDH1A1
SCHEMBL77733 0.85 TSHR (0.48) TSHRCES2CES1HPGDALDH1A1
SCHEMBL5528002 0.79 NFE2L2 (0.57) TSHRCES2CES1HPGDALDH1A1
SCHEMBL4195600 0.79 TSHR (0.54) TSHRCES2CES1HPGDALDH1A1
SCHEMBL5528005 0.79 NFE2L2 (0.57) TSHRCES2CES1HPGDALDH1A1
SCHEMBL112003 0.78 CES2 (0.56) TSHRCES2CES1ALDH1A1MAPT
SCHEMBL7995955 0.77 TSHR (0.52) TSHRCES2CES1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106019448-A Composite polarizing plate 东友精细化工有限公司 2016-10-12 CN disclosed