SCHEMBL9002785

SCHEMBL9002785

O=C(O)C[C@@H]1NC(=O)CN(C2CC2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 9/20 0.42
▸ ITGA2B P08514 5/20 0.42
▸ ITGAV P06756 5/20 0.42
▸ ITGB5 P18084 3/20 0.42
▸ ITGA5 P08648 3/20 0.42
▸ ITGB1 P05556 2/20 0.42
▸ ITGB2 P05107 1/20 0.42
▸ ITGAL P20701 1/20 0.42
▸ GAA P10253 1/20 0.40
▸ ACE P12821 2/20 0.35
▸ KEAP1 Q14145 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC8 Q9BY41 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 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
SCHEMBL9002797 1.00 ITGB3 (0.42) ITGB3ITGA2BITGAVITGB5ITGA5
SCHEMBL8002679 0.77 ITGB3 (0.42) ITGB3ITGA2BITGAVITGB5ITGA5
SCHEMBL4281521 0.70 HDAC6 (0.62) ITGB3ITGAVGAAHDAC1HDAC8
SCHEMBL18894019 0.70 HDAC6 (0.62) ITGB3ITGAVGAAHDAC1HDAC8
SCHEMBL26915184 0.70 HDAC6 (0.62) ITGB3ITGAVGAAHDAC1HDAC8
SCHEMBL30839645 0.70 SMN1; SMN2 (0.52) HDAC1HDAC8HDAC6
SCHEMBL2687510 0.68 GAA (0.36) ITGB3ITGA2BITGAVITGB5ITGA5
SCHEMBL6140289 0.67 HDAC6 (0.53) ITGB3ITGA2BITGAVITGB1GAA
SCHEMBL6140790 0.67 HDAC6 (0.53) ITGB3ITGA2BITGAVITGB1GAA
SCHEMBL15346086 0.67 ITGB3 (0.50) ITGB3ITGA2BITGAVITGB5ITGA5

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
Send feedback