SCHEMBL6567663

SCHEMBL6567663

CCC(C)c1ccc2c(c1)OC(O)(CCl)CO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
AOC3 Q16853 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL6569150 0.95 USP2 (0.36) USP2ALDH1A1GAAPKMHPGD
SCHEMBL6569100 0.88 MEN1 (0.38) ALDH1A1PKMPTGS1PTGS2AOC3
SCHEMBL6568369 0.82 MEN1 (0.38) ALDH1A1PKMPTGS1PTGS2AOC3
SCHEMBL6568390 0.81 TAAR1 (0.40) GAAALOX15MEN1KMT2ACYP3A4
SCHEMBL6567593 0.79 PARP1 (0.39) USP2PKMMEN1KMT2AKDM4E
SCHEMBL6569112 0.79 SCN9A (0.34) HPGDALOX15KMT2ACYP2D6
SCHEMBL6567367 0.77 KDM4E (0.40) ALDH1A1GAAKDM4E
SCHEMBL28614086 0.77 KDM4E (0.40) ALDH1A1GAAKDM4E
SCHEMBL6569071 0.77 PTGS1 (0.36) USP2ALDH1A1GAAPKMPTGS1
SCHEMBL6569246 0.74 ALDH1A1 (0.37) ALDH1A1HPGDALOX15HSD17B10

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-1405851-A1 Method for producing seven-membered diether compounds and intermediates thereof Takasago International Corporation (JP) 2004-04-07 EP disclosed