SCHEMBL7293172

SCHEMBL7293172

CCCC[CH]OC(=O)CCCC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.42
CES2 O00748 1/20 0.42
DGKA P23743 1/20 0.42
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TP53 P04637 1/20 0.39
PAM P19021 2/20 0.38
CA1 P00915 1/20 0.38
MGLL Q99685 1/20 0.38
MAPT P10636 3/20 0.37
MAPK1 P28482 1/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
THRB P10828 1/20 0.37
FAAH O00519 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL9045302 0.94 DGKA (0.45) DGKATSHRLMNAF7F3
SCHEMBL667189 0.91 CES1 (0.42) CES1CES2DGKATSHRLMNA
SCHEMBL133540 0.91 ALDH1A1 (0.46) CES1CES2DGKATSHRLMNA
SCHEMBL10889536 0.88 DGKA (0.53) DGKATSHRLMNAF7F3
SCHEMBL10892398 0.88 DGKA (0.53) DGKATSHRLMNAF7F3
SCHEMBL5930620 0.88 DGKA (0.53) DGKATSHRLMNAF7F3
SCHEMBL17440355 0.88 DGKA (0.53) DGKATSHRLMNAF7F3
SCHEMBL21956085 0.88 DGKA (0.53) DGKATSHRLMNAF7F3
SCHEMBL11266899 0.88 DGKA (0.53) DGKATSHRLMNAF7F3
SCHEMBL8812664 0.88 DGKA (0.53) DGKATSHRLMNAF7F3

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-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed