SCHEMBL13357724

SCHEMBL13357724

C=C/C=C(\C)[C@@H](C)NC(=O)CCCC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
ASAH2 Q9NR71 1/20 0.38
KCNK3 O14649 1/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
CNR2 P34972 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DNM1 Q05193 1/20 0.38
PLA2G10 O15496 1/20 0.36
NOD1 Q9Y239 1/20 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
SCHEMBL5966860 0.73 FAAH (0.70) FAAHMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL5296255 0.73 FAAH (0.70) FAAHMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL5966857 0.73 FAAH (0.70) FAAHMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL20170448 0.73 MAPT (0.43) FAAHMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL16658608 0.72 FAAH (0.55) FAAHMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL28142208 0.71 FAAH (0.59) FAAHMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL6610344 0.70 FAAH (0.83) FAAHMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL1176906 0.70 FAAH (0.69) FAAHMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL28045523 0.69 FAAH (0.47) FAAHMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL10316675 0.69 FAAH (0.67) FAAHMEN1MAPK1KMT2ASMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558607-B1 COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2010-05-05 EP disclosed