SCHEMBL28101262

SCHEMBL28101262

CC(C)(Oc1ccccc1C(C)(C)c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 5/20 0.47
ALOX15 P16050 1/20 0.47
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.35
NR3C2 P08235 3/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.31
KCNN4 O15554 2/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL28340972 0.83 ALDH1A1 (0.43) MAPK1ALDH1A1ALOX15ESR1ESR2
SCHEMBL30545314 0.83 ALDH1A1 (0.43) MAPK1ALDH1A1ALOX15ESR1ESR2
SCHEMBL9331418 0.83 ALDH1A1 (0.43) MAPK1ALDH1A1ALOX15ESR1ESR2
SCHEMBL11408980 0.82 MAPK1 (0.48) MAPK1ALDH1A1ALOX15NR3C2
SCHEMBL3988032 0.82 ALDH1A1 (0.42) MAPK1ALDH1A1ALOX15ESR1ESR2
SCHEMBL10541515 0.80 ALDH1A1 (0.47) MAPK1ALDH1A1ALOX15ESR1ESR2
SCHEMBL2221686 0.78 ALDH1A1 (0.39) MAPK1ALDH1A1ALOX15ESR1ESR2
SCHEMBL11429712 0.78 ALDH1A1 (0.39) MAPK1ALDH1A1ALOX15ESR1ESR2
SCHEMBL11868719 0.78 ALDH1A1 (0.41) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL2199266 0.78 ALDH1A1 (0.54) MAPK1ALDH1A1ALOX15ESR1ESR2

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-105980892-A Laminate and image display device 日东电工株式会社 2016-09-28 CN disclosed