SCHEMBL27780938

SCHEMBL27780938

CCCC(C)(C)CCC(=O)CC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
FDPS P14324 1/20 0.30

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
SCHEMBL8899241 0.86 ALDH1A1 (0.39) TDP1ALDH1A1LMNAHSD17B10CES2
SCHEMBL8897262 0.86 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10CES2CES1
SCHEMBL27511799 0.83 TDP1 (0.43) TDP1ALDH1A1FFAR3
SCHEMBL8896096 0.81 TDP1 (0.41) TDP1ALDH1A1LMNAHSD17B10CES2
SCHEMBL18670992 0.79 KMT2A (0.55) TDP1ALDH1A1HSD17B10CES2CES1
SCHEMBL20489971 0.78 ALDH1A1 (0.39) TDP1ALDH1A1LMNAHSD17B10CES2
SCHEMBL3966023 0.78 FFAR3 (0.50) TDP1ALDH1A1HSD17B10FFAR3HDAC3
SCHEMBL14139514 0.78 TDP1 (0.43) TDP1ALDH1A1LMNAHSD17B10FFAR3
SCHEMBL1783764 0.78 ALDH1A1 (0.43) TDP1ALDH1A1LMNAHSD17B10CES2
SCHEMBL16725017 0.77 TDP1 (0.47) TDP1ALDH1A1LMNAHSD17B10CES2

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-101715763-B Lasioderma serricorne (Fabricius) repellant UNIV HENAN AGRICULTURAL 2012-11-28 CN disclosed
CN-101715763-A Lasioderma serricorne (Fabricius) repellant UNIV HENAN AGRICULTURAL 2010-06-02 CN disclosed