SCHEMBL3382673

SCHEMBL3382673

O=C(O)C1=CCCC1.O=C(O)CC1C=CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CHRNA6 Q15825 1/20 0.38
HDAC4 P56524 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
OAT P04181 1/20 0.35
TSHR P16473 3/20 0.32
LMNA P02545 1/20 0.32
CES2 O00748 1/20 0.32
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 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
SCHEMBL459030 0.80
SCHEMBL971678 0.80
Hydrochloric Acid SCHEMBL10808909 0.79 CHRNB2 (0.49) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL502595 0.75
SCHEMBL6077803 0.73 CHRNB2 (0.40) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL9251598 0.73 CHRNB2 (0.40) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Ammonia Solution, Strong SCHEMBL7758144 0.73
Hydrochloric Acid SCHEMBL10803110 0.73
SCHEMBL9550774 0.73
SCHEMBL27482791 0.71 CHRNB2 (0.40) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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-1956054-B1 Phase change ink XEROX CORP (US) 2010-11-24 EP disclosed