SCHEMBL13129141

SCHEMBL13129141

CCCCCCCCCCCCCC(=O)Nc1c(C)cc(Cc2cc(C)c(NC(=O)CCCC)c(CC)c2)cc1CC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TRPV1 Q8NER1 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ENPP2 Q13822 1/20 0.42
DGAT2 Q96PD7 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL14864152 0.99 HPGD (0.51) HPGDPOLBALDH1A1CYP1A2CYP2D6
SCHEMBL13129138 0.96 HPGD (0.57) HPGDPOLBALDH1A1CYP1A2CYP2D6
SCHEMBL13129147 0.93 HPGD (0.48) HPGDPOLBTRPV1GAATDP1
SCHEMBL13129137 0.91 HPGD (0.58) HPGDPOLBALDH1A1CYP1A2CYP2D6
SCHEMBL14864150 0.91 HPGD (0.49) HPGDPOLBTRPV1GAATDP1
SCHEMBL14864149 0.90 HPGD (0.56) HPGDPOLBALDH1A1CYP1A2CYP2D6
SCHEMBL13129142 0.88 HPGD (0.50) HPGDPOLBALDH1A1CYP1A2CYP2D6
SCHEMBL13129134 0.87 HPGD (0.63) HPGDPOLBALDH1A1CYP1A2CYP2D6
SCHEMBL13129154 0.78 NPY1R (0.55) HPGDPOLBALDH1A1CYP1A2CYP2D6
SCHEMBL13129155 0.78 SOAT1 (0.47) HPGDPOLBSMN1; SMN2NPC1LMNA

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
US-20100240815-A1 POLYOLEFIN RESIN COMPOSITION ADEKA CORPORATION (JP) 2010-09-23 US disclosed