SCHEMBL27328513

SCHEMBL27328513

CCCC(=O)C=O.CCCC(=O)C=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.47
CES1 P23141 6/20 0.47
HDAC3 O15379 4/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC2 Q92769 4/20 0.45
HDAC8 Q9BY41 4/20 0.45
FFAR3 O14843 3/20 0.45
TSHR P16473 2/20 0.43
ALDH1A1 P00352 3/20 0.41
TRPA1 O75762 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CTSD P07339 1/20 0.38
IAPP P10997 2/20 0.36
AKR1B1 P15121 1/20 0.33

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
SCHEMBL22450 1.00
SCHEMBL28066947 0.97
Methane SCHEMBL28082116 0.97
SCHEMBL27637782 0.97
SCHEMBL1720486 0.97
Ammonia Solution, Strong SCHEMBL28677895 0.97
SCHEMBL15543494 0.97
SCHEMBL27877113 0.97
SCHEMBL27893933 0.97
Formaldehyde SCHEMBL15875700 0.94 CES2 (0.43) CES2CES1HDAC3HDAC1HDAC2

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-1011055-B Multiple glazing unit PPG INDUSTRIES INC (US) 1991-01-02 CN disclosed
CN-88101561-A Improved compound glass window member with flexible isolating and black box 1988-10-05 CN disclosed