SCHEMBL774641

SCHEMBL774641

CCCC(=O)NC1=C(NC(=O)CCC)CC=C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
MAPK1 P28482 1/20 0.40
THRB P10828 2/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
NSD2 O96028 1/20 0.38
TTR P02766 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
THRA P10827 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC3 O15379 2/20 0.36

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
SCHEMBL775558 0.89 SOAT1 (0.43) MAPK1NPC1RAB9ASMN1; SMN2CA1
SCHEMBL774986 0.87 SOAT1 (0.46) RAB9ACA1CA2LMNAPOLB
SCHEMBL776835 0.87 SOAT1 (0.46) RAB9ACA1CA2LMNAPOLB
SCHEMBL775707 0.83 TP53 (0.41) TP53MAPK1THRBALDH1A1MAPT
SCHEMBL774744 0.72 SOAT1 (0.44) MAPK1RAB9ALMNAPOLB
SCHEMBL775687 0.72 SOAT1 (0.44) MAPK1RAB9ALMNAPOLB
SCHEMBL23871973 0.66 TP53 (0.43) TP53MAPK1THRBALDH1A1MAPT
SCHEMBL24202123 0.64 TP53 (0.42) TP53MAPK1THRBALDH1A1MAPT
SCHEMBL9842953 0.62 L3MBTL1 (0.67) TP53ALDH1A1MAPTHPGDMEN1
SCHEMBL9564243 0.61 ADORA1 (0.59) TP53MAPK1ALDH1A1MAPTNPC1

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