SCHEMBL776464

SCHEMBL776464

CC(C)CC(=O)Nc1ccc2cc3ccccc3cc2c1NC(=O)CC(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.59
RAB9A P51151 3/20 0.59
GAA P10253 2/20 0.59
POLB P06746 2/20 0.49
ADORA1 P30542 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
HPGD P15428 4/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
NPC1 O15118 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP3A4 P08684 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL775301 0.87 SMN1; SMN2 (0.56) SMN1; SMN2RAB9AGAAPOLBADORA1
SCHEMBL778848 0.84 MAPK1 (0.51) SMN1; SMN2RAB9AGAAPOLBADORA1
SCHEMBL776746 0.80 LMNA (0.60) SMN1; SMN2RAB9AGAAPOLBHPGD
SCHEMBL776355 0.79 NPC1 (0.59) SMN1; SMN2RAB9AGAAPOLBHPGD
SCHEMBL774893 0.79 NPC1 (0.59) SMN1; SMN2RAB9AGAAPOLBHPGD
SCHEMBL5907677 0.76 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AGAAPOLBLMNA
SCHEMBL31643225 0.75 RAB9A (1.00) SMN1; SMN2RAB9AGAAPOLBHPGD
SCHEMBL4092873 0.74 PTPN1 (0.59) SMN1; SMN2RAB9AGAAPOLBADORA1
SCHEMBL777051 0.72 NPC1 (0.54) SMN1; SMN2RAB9APOLBADORA3HPGD
SCHEMBL11658696 0.71 RAB9A (0.41) SMN1; SMN2RAB9AGAAHPGDALDH1A1

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