SCHEMBL42770

SCHEMBL42770

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 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
SCHEMBL2429063 0.84 ALDH1A1 (0.46) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL7757949 0.84 ALDH1A1 (0.46) ALDH1A1ALOX15ESR1ESR2CYP3A4
Ammonia Solution, Strong SCHEMBL28224949 0.82 ALDH1A1 (0.44) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL11133348 0.80 ALDH1A1 (0.43) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL28531948 0.78 SLC6A4 (0.42) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL6666755 0.78 AOC3 (0.52) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL14164384 0.77 GRIN1 (0.50) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL60357 0.77 MAPT (0.47) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL9279074 0.76 MAPK1 (0.46) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL575235 0.76 MAPK1 (0.46) ALDH1A1ALOX15ESR1ESR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101990549-B Hydrogenated beta-pinene-based polymer and molded article comprising the same KURARAY CO 2014-08-20 CN disclosed
EP-2580253-A2 VINYL ETHER END-FUNCTIONALIZED POLYOLEFINS The University of Southern Mississippi (US) 2013-04-17 EP disclosed
WO-2011159468-A2 VINYL ETHER END-FUNCTIONALIZED POLYOLEFINS THE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2011-12-22 WO disclosed
CN-101990549-A Hydrogenated beta-pinene-based polymer and molded article comprising the same KURARAY CO 2011-03-23 CN disclosed