SCHEMBL4456709

SCHEMBL4456709

Cc1ccc(C)c(CCCCCCCCCCCCCCCCCC(=O)O)c1CCCCCCCCCCCCCCCCCC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.50
MAPT P10636 1/20 0.50
F13A1 P00488 3/20 0.46
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
PRNP P04156 1/20 0.44
RECQL P46063 1/20 0.44
SCD O00767 1/20 0.43
TSHR P16473 3/20 0.43
NFKB1 P19838 1/20 0.43
PMP22 Q01453 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42

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
SCHEMBL30673617 0.93 IDO1 (0.44) RXFP1MAPTTBXAS1
SCHEMBL134158 0.88 F13A1 (0.46) RXFP1MAPTF13A1LMNAALDH1A1
SCHEMBL29651443 0.88 F13A1 (0.46) RXFP1MAPTF13A1LMNAALDH1A1
SCHEMBL295972 0.84 F13A1 (0.46) RXFP1MAPTF13A1LMNAALDH1A1
SCHEMBL29362013 0.79 TLR8 (0.39) F13A1
SCHEMBL125074 0.79 TLR8 (0.39) F13A1
Toluene SCHEMBL27623471 0.78 HDAC3 (0.53) RXFP1MAPTLMNAALDH1A1TSHR
SCHEMBL28557298 0.76 RXFP1 (0.52) RXFP1MAPTF13A1LMNAALDH1A1
SCHEMBL792185 0.76 IDO1 (0.39) F13A1
SCHEMBL7564106 0.76 F13A1 (0.51) RXFP1MAPTF13A1LMNAALDH1A1

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-20090286075-A1 THERMALLY CONDUCTIVE RESIN MATERIAL AND MOLDED BODY THEREOF NEC CORPORATION (JP) 2009-11-19 US disclosed
EP-2006334-A1 THERMALLY CONDUCTIVE RESIN MATERIAL AND MOLDED BODY THEREOF NEC Corporation (JP) 2008-12-24 EP disclosed