SCHEMBL20038751

SCHEMBL20038751

CCC(C)CC(=O)CCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.58
ALDH1A1 P00352 1/20 0.52
TRPV1 Q8NER1 2/20 0.51
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KEAP1 Q14145 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
FFAR1 O14842 1/20 0.47
ALOX5 P09917 1/20 0.45
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
RAB9A P51151 1/20 0.44
HMOX1 P09601 1/20 0.44

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
SCHEMBL12446361 0.86 TRPA1 (0.58) TRPA1ALDH1A1TRPV1TDP1L3MBTL1
SCHEMBL110046 0.84 TRPA1 (0.64) TRPA1ALDH1A1TRPV1TDP1L3MBTL1
SCHEMBL15944372 0.83 TRPA1 (0.73) TRPA1ALDH1A1TRPV1TDP1L3MBTL1
SCHEMBL25867528 0.82 TRPA1 (0.67) TRPA1ALDH1A1TRPV1TDP1L3MBTL1
SCHEMBL108380 0.82 TSHR (0.49) TRPA1ALDH1A1TDP1L3MBTL1MEN1
SCHEMBL20221730 0.81 F2RL1 (0.64) ALDH1A1TDP1L3MBTL1SMN1; SMN2FFAR1
SCHEMBL12767039 0.81 TRPA1 (0.60) TRPA1ALDH1A1TRPV1TDP1L3MBTL1
Hydrochloric Acid SCHEMBL9305231 0.79 TRPA1 (0.58) TRPA1ALDH1A1TRPV1TDP1L3MBTL1
SCHEMBL19187731 0.79 TRPA1 (0.58) TRPA1ALDH1A1TRPV1TDP1L3MBTL1
SCHEMBL20880746 0.79 TRPA1 (0.54) TRPA1ALDH1A1TRPV1TDP1L3MBTL1

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-2953934-B1 REDUCED SODIUM FOOD PRODUCTS GEN MILLS INC (US) 2018-04-11 EP disclosed