SCHEMBL29508694

SCHEMBL29508694

[2H]C/C=C\CCCC(=O)NCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.48
CNR1 P21554 6/20 0.45
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
BLM P54132 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
APEX1 P27695 1/20 0.44
RECQL P46063 1/20 0.44
PMP22 Q01453 1/20 0.44
GPR18 Q14330 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44

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
SCHEMBL10112508 0.89 FAAH (0.55) FAAHCNR1ALDH1A1MEN1BLM
SCHEMBL1584861 0.89 FAAH (0.55) FAAHCNR1ALDH1A1MEN1BLM
SCHEMBL1041069 0.89 FAAH (0.55) FAAHCNR1ALDH1A1MEN1BLM
SCHEMBL15468144 0.81 FAAH (0.62) FAAHCNR1ALDH1A1MEN1BLM
SCHEMBL12464505 0.79 CNR1 (0.65) FAAHCNR1ALDH1A1MEN1BLM
SCHEMBL22618724 0.76 TRPV1 (0.51) FAAHCNR1ALDH1A1MEN1BLM
SCHEMBL29382683 0.76 FAAH (0.50) FAAHCNR1ALDH1A1MEN1BLM
SCHEMBL19557781 0.75 CNR1 (0.73) FAAHCNR1ALDH1A1MEN1BLM
SCHEMBL2639337 0.74 CNR1 (0.79) FAAHCNR1ALDH1A1MEN1BLM
SCHEMBL18240162 0.74 CNR1 (0.79) FAAHCNR1ALDH1A1MEN1BLM

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
CN-114174261-A Method for preparing nitric oxide donor type prostaglandin analogue 尼科斯股份有限公司 2022-03-11 CN disclosed