SCHEMBL3367705

SCHEMBL3367705

CC(C)OC(C)OC=Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.39
TRPA1 O75762 1/20 0.38
MAOB P27338 1/20 0.38
AHR P35869 1/20 0.37
NPC1 O15118 1/20 0.37
MTOR P42345 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
PMP22 Q01453 1/20 0.36

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
SCHEMBL23134220 0.84 MAOB (0.44) HTR2ATRPA1MAOBAHRNPC1
SCHEMBL419698 0.84 MAOB (0.44) HTR2ATRPA1MAOBAHRNPC1
SCHEMBL8093712 0.82 TRPA1 (0.44) HTR2ATRPA1MAOBAHRNPC1
SCHEMBL29266723 0.81 RELA (0.41) HTR2AMAOBNPC1MTORTP53
SCHEMBL8004384 0.78 HTR2A (0.37) HTR2ATRPA1MAOBAHRNPC1
SCHEMBL1395549 0.78 RELA (0.44) HTR2ATRPA1NPC1MTORTP53
SCHEMBL4543866 0.75 MEN1 (0.39) HTR2ATRPA1NPC1MTORTP53
SCHEMBL6055046 0.74 HTR2A (0.44) HTR2ATRPA1MAOBNPC1MTOR
SCHEMBL18140876 0.74 HTR2A (0.38) HTR2ATRPA1NPC1MTORTP53
SCHEMBL18140874 0.74 HTR2A (0.38) HTR2ATRPA1NPC1MTORTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320785-B1 OXIME DERIVATIVES AND THE USE THEREOF AS LATENT ACIDS BASF SE (DE) 2010-02-17 EP disclosed
CN-1751269-A Halogenated oxime derivatives and their use as latent acids CIBA SC HOLDING AG (CH) 2006-03-22 CN disclosed
CN-1628268-A Sulfonic acid derivatives and their use as latent acids CIBA SC HOLDING AG (CH) 2005-06-15 CN disclosed