SCHEMBL8679276

SCHEMBL8679276

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.44
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
FAAH O00519 2/20 0.41
LPAR1 Q92633 2/20 0.38
LPAR3 Q9UBY5 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
CNR1 P21554 1/20 0.38
NOD1 Q9Y239 1/20 0.38
EPHX2 P34913 2/20 0.38

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 0.98 SLC6A5 (0.43) SLC6A5ITGB3ITGA2BFAAHALDH1A1
SCHEMBL8676729 0.98 SLC6A5 (0.43) SLC6A5ITGB3ITGA2BFAAHALDH1A1
SCHEMBL8678394 0.94 ITGB3 (0.45) SLC6A5ITGB3ITGA2BNOD1
SCHEMBL8678436 0.94 ITGB3 (0.45) SLC6A5ITGB3ITGA2BNOD1
SCHEMBL6130195 0.94 ITGB3 (0.45) SLC6A5ITGB3ITGA2BNOD1
SCHEMBL3916325 0.94 ITGB3 (0.45) SLC6A5ITGB3ITGA2BNOD1
SCHEMBL8675742 0.93 SLC6A5 (0.37) SLC6A5ITGB3ITGA2BFAAHALDH1A1
SCHEMBL6130186 0.90 ITGB3 (0.41) ITGB3ITGA2BNOD1
SCHEMBL30401325 0.87 SLC6A5 (0.52) SLC6A5FAAHLPAR1LPAR3CNR1
SCHEMBL27578189 0.83 HDAC6 (0.36) ITGB3ITGA2B

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