SCHEMBL9002928

SCHEMBL9002928

N=C(N)N1CCC[C@@H](CNC(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)N(CC(=O)O)C2CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.47
TPSAB1 Q15661 1/20 0.45
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45
IL2RA P01589 1/20 0.44
ALB P02768 1/20 0.44
IL2 P60568 1/20 0.44
PRSS1 P07477 2/20 0.44
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
F10 P00742 2/20 0.40
PLG P00747 1/20 0.40

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 SCHEMBL9003001 0.99 F2 (0.48) F2TPSAB1TPSD1TPSG1IL2RA
SCHEMBL9003040 0.93 F2 (0.47) F2TPSAB1TPSD1TPSG1IL2RA
SCHEMBL7393159 0.89 F2 (0.41) F2TPSAB1TPSD1TPSG1IL2RA
SCHEMBL9003091 0.89 F2 (0.53) F2IL2RAALBIL2
SCHEMBL9002942 0.88 F2 (0.49) F2TPSAB1IL2RAALBIL2
SCHEMBL9002921 0.88 CASP1 (0.40) F2ITGB3ITGA2B
SCHEMBL9002887 0.88 F2 (0.48) F2TPSAB1TPSD1TPSG1IL2RA
SCHEMBL9002816 0.88 F2 (0.44) F2TPSAB1TPSD1TPSG1IL2RA
Hydrochloric Acid SCHEMBL9003267 0.88 F2 (0.49) F2TPSAB1IL2RAALBIL2
Hydrochloric Acid SCHEMBL9002990 0.87 CASP1 (0.39) F2ITGB3ITGA2B

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