SCHEMBL776594

SCHEMBL776594

CCCC(=O)Nc1ccc2ccccc2c1NC(=O)CCC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 4/20 0.63
ABCC9 O60706 2/20 0.63
ABCC8 Q09428 2/20 0.63
KCNJ8 Q15842 2/20 0.63
MAPK1 P28482 1/20 0.55
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
EP300 Q09472 1/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPT P10636 3/20 0.46
HPGD P15428 2/20 0.46
EPHX1 P07099 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 1/20 0.45
PARP14 Q460N5 1/20 0.45

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
SCHEMBL775262 0.91 EP300 (0.61) KCNJ11ABCC9ABCC8KCNJ8MAPK1
SCHEMBL776816 0.90 EP300 (0.64) KCNJ11ABCC9ABCC8KCNJ8MAPK1
SCHEMBL778783 0.90 EP300 (0.64) KCNJ11ABCC9ABCC8KCNJ8MAPK1
SCHEMBL778848 0.87 MAPK1 (0.51) KCNJ11ABCC9ABCC8KCNJ8MAPK1
SCHEMBL30665216 0.84 MAPK1 (0.55) KCNJ11ABCC9ABCC8KCNJ8MAPK1
SCHEMBL775301 0.83 SMN1; SMN2 (0.56) KCNJ11ABCC9ABCC8KCNJ8CYP1A2
SCHEMBL12608238 0.82 CYP2C19 (0.72) MAPK1CYP1A2CYP2C19HTTALDH1A1
SCHEMBL12456328 0.82 CYP2C19 (0.72) MAPK1CYP1A2CYP2C19HTTALDH1A1
SCHEMBL14229913 0.80 NCEH1 (0.54) KCNJ11ABCC9ABCC8KCNJ8MAPK1
SCHEMBL776746 0.79 LMNA (0.60) MAPK1EP300ALDH1A1KDM4EHSD17B10

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
US-8673998-B2 Polymer compositions with improved cold flow BRIDGESTONE CORPORATION (JP) 2014-03-18 US disclosed
US-20120071583-A1 POLYMER COMPOSITIONS WITH IMPROVED COLD FLOW BRIDGESTONE CORPORATION (JP) 2012-03-22 US disclosed