SCHEMBL775301

SCHEMBL775301

CC(C)CC(=O)Nc1ccc2ccccc2c1NC(=O)CC(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
GAA P10253 2/20 0.56
RAB9A P51151 2/20 0.56
KCNJ11 Q14654 3/20 0.50
POLB P06746 1/20 0.49
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ABCC9 O60706 2/20 0.46
ABCC8 Q09428 2/20 0.46
KCNJ8 Q15842 2/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADORA1 P30542 1/20 0.46
HTT P42858 1/20 0.45
PTPN1 P18031 1/20 0.45
MAPT P10636 2/20 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
SCHEMBL776464 0.87 SMN1; SMN2 (0.59) SMN1; SMN2GAARAB9APOLBALDH1A1
SCHEMBL776594 0.83 KCNJ11 (0.63) GAARAB9AKCNJ11ALDH1A1HPGD
SCHEMBL7114320 0.80 KCNJ11 (0.78) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL775262 0.78 EP300 (0.61) SMN1; SMN2GAARAB9AKCNJ11ALDH1A1
SCHEMBL776816 0.77 EP300 (0.64) SMN1; SMN2GAARAB9AKCNJ11ALDH1A1
SCHEMBL778783 0.77 EP300 (0.64) SMN1; SMN2GAARAB9AKCNJ11ALDH1A1
SCHEMBL12284941 0.77 SMN1; SMN2 (0.59) SMN1; SMN2GAARAB9APOLBALDH1A1
SCHEMBL675647 0.74 ALDH1A1 (0.63) GAARAB9APOLBALDH1A1HPGD
SCHEMBL11116162 0.74 CYP1A2 (0.46) GAARAB9AKCNJ11ALDH1A1HPGD
SCHEMBL9665541 0.73 KMT2A (0.50) SMN1; SMN2GAARAB9AKCNJ11ALDH1A1

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