SCHEMBL5379294

SCHEMBL5379294

C#CCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.81
CNR1 P21554 5/20 0.70
FAAH O00519 3/20 0.68
ALDH1A1 P00352 3/20 0.68
MEN1 O00255 2/20 0.68
BLM P54132 2/20 0.68
KMT2A Q03164 2/20 0.68
MAPT P10636 2/20 0.68
HPGD P15428 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
KDM4E B2RXH2 1/20 0.68
USP2 O75604 1/20 0.68
POLB P06746 1/20 0.68
CYP3A4 P08684 1/20 0.68
ALOX15 P16050 1/20 0.68
APEX1 P27695 1/20 0.68
RECQL P46063 1/20 0.68
PMP22 Q01453 1/20 0.68
GPR18 Q14330 1/20 0.68
HSD17B10 Q99714 1/20 0.68

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
SCHEMBL10226099 0.95 CNR2 (0.74) CNR2CNR1FAAHALDH1A1MEN1
SCHEMBL10226117 0.91 CNR2 (0.67) CNR2CNR1FAAHALDH1A1MEN1
SCHEMBL15007736 0.84 CNR1 (0.90) CNR2CNR1FAAHALDH1A1MEN1
SCHEMBL18240162 0.84 CNR1 (0.79) CNR2CNR1FAAHALDH1A1MEN1
SCHEMBL15007735 0.84 CNR1 (0.90) CNR2CNR1FAAHALDH1A1MEN1
SCHEMBL2639337 0.84 CNR1 (0.79) CNR2CNR1FAAHALDH1A1MEN1
SCHEMBL15479139 0.83 CNR1 (1.00) CNR2CNR1FAAHALDH1A1MEN1
SCHEMBL232709 0.83 CNR1 (1.00) CNR2CNR1FAAHALDH1A1MEN1
SCHEMBL15007554 0.83 CNR1 (0.94) CNR2CNR1FAAHALDH1A1MEN1
SCHEMBL232708 0.83 CNR1 (1.00) CNR2CNR1FAAHALDH1A1MEN1

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
US-7161016-B1 Cannabimimetic lipid amides as useful medications UNIVERSITY OF CONNECTICUT (US) 2007-01-09 US disclosed