SCHEMBL28016357

SCHEMBL28016357

CC(O)(Oc1ccccc1)C(C)(C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.39
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
CYP3A4 P08684 1/20 0.38
CA5A P35218 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
CCR6 P51684 2/20 0.36
KCNH2 Q12809 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 1/20 0.36
CA4 P22748 1/20 0.36
CYP2C19 P33261 2/20 0.35
KCNN4 O15554 1/20 0.35
HIF1A Q16665 1/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL1356943 0.78 ALDH1A1 (0.46) ALDH1A1ALOX15MAPK1ESR1ESR2
SCHEMBL27985382 0.77 ALDH1A1 (0.38) ALDH1A1ALOX15MAPK1LMNAESR1
SCHEMBL693241 0.75 CA4 (0.43) ALDH1A1ALOX15MAPK1LMNACYP3A4
SCHEMBL118174 0.75 CA4 (0.43) ALDH1A1ALOX15MAPK1LMNACYP3A4
SCHEMBL675061 0.75 CA4 (0.43) ALDH1A1ALOX15MAPK1LMNACYP3A4
SCHEMBL8515671 0.75 PPARG (0.41) ALDH1A1ALOX15MAPK1CYP3A4MAPT
SCHEMBL41959 0.74 ALDH1A1 (0.50) ALDH1A1ALOX15MAPK1LMNAESR1
SCHEMBL1022162 0.74 CA4 (0.39) ALDH1A1ALOX15MAPK1LMNACYP3A4
Hydrogen Peroxide SCHEMBL27577220 0.74 ALDH1A1 (0.55) ALDH1A1ALOX15MAPK1LMNAESR1
SCHEMBL30684863 0.73 PPARG (0.36) ALDH1A1ALOX15LMNACCR6KMT2A

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