SCHEMBL9003058

SCHEMBL9003058

CCCCN[C@@H](CC(=O)NC[C@@H]1CCCN(C(=N)N)C1)C(=O)N(CCC(=O)OCC)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.45
ALDH1A1 P00352 2/20 0.36
IL2RA P01589 1/20 0.34
ALB P02768 1/20 0.34
IL2 P60568 1/20 0.34
BCHE P06276 1/20 0.32
TPSAB1 Q15661 1/20 0.32
TPSD1 Q9BZJ3 1/20 0.32
TPSG1 Q9NRR2 1/20 0.32

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 SCHEMBL9002729 0.99 F2 (0.46) F2ALDH1A1IL2RAALBIL2
SCHEMBL9003224 0.91 F2 (0.42) F2IL2RAALBIL2BCHE
Hydrochloric Acid SCHEMBL9003085 0.90 F2 (0.42) F2IL2RAALBIL2TPSAB1
SCHEMBL9002786 0.89 F2 (0.48) F2ALDH1A1IL2RAALBIL2
Hydrochloric Acid SCHEMBL9002689 0.89 F2 (0.49) F2IL2RAALBIL2TPSAB1
SCHEMBL7436492 0.88 F2 (0.37) F2ALDH1A1BCHE
Hydrochloric Acid SCHEMBL7395611 0.87 F2 (0.38) F2ALDH1A1BCHE
Hydrochloric Acid SCHEMBL9003150 0.86 F2 (0.46) F2ALDH1A1IL2RAALBIL2
Hydrochloric Acid SCHEMBL8947769 0.86 F2 (0.51) F2ALDH1A1
Hydrochloric Acid SCHEMBL9002567 0.82 F2 (0.48) F2ALDH1A1

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