SCHEMBL28174698

SCHEMBL28174698

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
ALOX15 P16050 1/20 0.50
ESR1 P03372 3/20 0.48
ESR2 Q92731 3/20 0.48
CYP3A4 P08684 2/20 0.48
MAPK1 P28482 2/20 0.48
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL27652170 0.80 ALDH1A1 (0.48) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL29199451 0.80 ALDH1A1 (0.48) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL4082774 0.80 ALDH1A1 (0.48) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL9891044 0.80 ALDH1A1 (0.48) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL249404 0.79 KMT2A (0.55) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL8683368 0.79 ALDH1A1 (0.52) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL1617443 0.79 ALDH1A1 (0.52) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL164244 0.79 ALDH1A1 (0.52) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL17923879 0.79 MAPK1 (0.50) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL28216352 0.79 ALDH1A1 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107430337-A RADIATION-SENSITIVE COMPOSITION AND RESIST PATTERN FORMATION METHOD 三菱瓦斯化学株式会社 2017-12-01 CN disclosed
CN-107428717-A Resist composition, resist pattern forming method, and polyphenol compound used for same 三菱瓦斯化学株式会社 2017-12-01 CN disclosed