SCHEMBL9002968

SCHEMBL9002968

N=C(N)N1CCC[C@@H](CNC(=O)C[C@H](NC(=O)NCc2ccco2)C(=O)N(CC(=O)O)C2CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.44
HTT P42858 1/20 0.37
EED O75530 1/20 0.37
IL2RA P01589 1/20 0.37
ALB P02768 1/20 0.37
IL2 P60568 1/20 0.37
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TPSAB1 Q15661 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
Hydrochloric Acid SCHEMBL9003111 0.99 F2 (0.45) F2HTTEEDIL2RAALB
SCHEMBL9002942 0.89 F2 (0.49) F2IL2RAALBIL2TPSAB1
Hydrochloric Acid SCHEMBL9003267 0.89 F2 (0.49) F2IL2RAALBIL2TPSAB1
Hydrochloric Acid SCHEMBL9003101 0.87 F2 (0.37) F2HTTHSD17B10ALDH1A1
SCHEMBL9002587 0.85 F2 (0.49) F2IL2RAALBIL2TPSAB1
Hydrochloric Acid SCHEMBL9003094 0.85 ALDH1A1 (0.36) HTTHSD17B10ALDH1A1
SCHEMBL9002717 0.84 F2 (0.45) F2IL2RAALBIL2TPSAB1
Hydrochloric Acid SCHEMBL9002542 0.84 F2 (0.49) F2IL2RAALBIL2TPSAB1
Hydrochloric Acid SCHEMBL9002965 0.83 F2 (0.46) F2IL2RAALBIL2TPSAB1
SCHEMBL9002669 0.83 F2 (0.52) F2IL2RAALBIL2ALDH1A1

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-5559232-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-09-24 US disclosed