SCHEMBL9848783

SCHEMBL9848783

CC(C)([CH]O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 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
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
HDAC6 Q9UBN7 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
SCHEMBL28563681 0.79 ALDH1A1 (0.46) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL22361948 0.76 MAPK1 (0.46) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL16877052 0.75 RAB9A (0.41) CYP3A4MAPK1MAPTKMT2ACYP2C19
SCHEMBL7147954 0.74 MAPK1 (0.44) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL27546959 0.74 MAPK1 (0.44) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL737574 0.74 MAPK1 (0.44) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL18404121 0.74 MAPK1 (0.44) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL43182 0.74 ALDH1A1 (0.44) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL27564517 0.74 MAPK1 (0.50) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL10012029 0.74 MAPK1 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0421385-A1 Process for producing p-hydroxyneophyl m-phenoxybenzyl ether MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-04-10 EP disclosed