SCHEMBL28016358

SCHEMBL28016358

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
KMT2A Q03164 4/20 0.34
PPARG P37231 1/20 0.34
KDM4E B2RXH2 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 2/20 0.33
ATM Q13315 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 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
SCHEMBL869591 0.89 MAPT (0.36) ALDH1A1KMT2APPARGKDM4ETDP1
SCHEMBL28061502 0.81 PPARG (0.40) ALDH1A1ESR1ESR2CYP3A4ALOX15
SCHEMBL10541515 0.78 ALDH1A1 (0.47) ALDH1A1ESR1ESR2CYP3A4ALOX15
SCHEMBL9331418 0.77 ALDH1A1 (0.43) ALDH1A1ESR1ESR2CYP3A4ALOX15
SCHEMBL28340972 0.77 ALDH1A1 (0.43) ALDH1A1ESR1ESR2CYP3A4ALOX15
SCHEMBL30545314 0.77 ALDH1A1 (0.43) ALDH1A1ESR1ESR2CYP3A4ALOX15
SCHEMBL8439645 0.76 MAPT (0.33) ALDH1A1KMT2APPARGTDP1MAPT
SCHEMBL3988032 0.76 ALDH1A1 (0.42) ALDH1A1ESR1ESR2CYP3A4ALOX15
SCHEMBL10389570 0.76 LMNA (0.35) KMT2APPARGTDP1MAPTATM
SCHEMBL22092137 0.75 ALDH1A1 (0.38) ALDH1A1ESR1ESR2CYP3A4ALOX15

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
CN-104788310-A Preparation method of acrylic ester material for optical films ZHANGJIAGANG KANGDE XIN PHOTOELECTRIC MATERIAL CO LTD 2015-07-22 CN claimed
CN-104788310-A Preparation method of acrylic ester material for optical films ZHANGJIAGANG KANGDE XIN PHOTOELECTRIC MATERIAL CO LTD 2015-07-22 CN disclosed