SCHEMBL8675742

SCHEMBL8675742

CC/C=C\C/C=C\C/C=C\CCCCCCCCOC(=O)C(Cc1c[nH]cn1)NC(=O)CCN

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CNR1 P21554 4/20 0.36
EPHX2 P34913 4/20 0.36
FAAH O00519 2/20 0.36
CNR2 P34972 1/20 0.36
HDAC6 Q9UBN7 4/20 0.36
HDAC1 Q13547 2/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL8677099 0.95 SLC6A5 (0.43) SLC6A5ALDH1A1CNR1FAAHITGB3
SCHEMBL8676729 0.95 SLC6A5 (0.43) SLC6A5ALDH1A1CNR1FAAHITGB3
SCHEMBL8679276 0.93 SLC6A5 (0.44) SLC6A5ALDH1A1CNR1EPHX2FAAH
SCHEMBL8678436 0.87 ITGB3 (0.45) SLC6A5HDAC6HDAC1ITGB3ITGA2B
SCHEMBL6130195 0.87 ITGB3 (0.45) SLC6A5HDAC6HDAC1ITGB3ITGA2B
SCHEMBL8678394 0.87 ITGB3 (0.45) SLC6A5HDAC6HDAC1ITGB3ITGA2B
SCHEMBL3916325 0.87 ITGB3 (0.45) SLC6A5HDAC6HDAC1ITGB3ITGA2B
SCHEMBL6130186 0.85 ITGB3 (0.41) HDAC6HDAC1ITGB3ITGA2B
SCHEMBL30400973 0.82 SLC6A5 (0.55) SLC6A5ALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL30400944 0.82 SLC6A5 (0.55) SLC6A5ALDH1A1CYP3A4ALOX15HSD17B10

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-5723482-A CARNOSINE OR DERIVATIVE, UROCANIC ACID OR DERIVATIVE BEIERSDORF AG (DE) 1998-03-03 US disclosed