SCHEMBL8520923

SCHEMBL8520923

CCOC(=O)C=Cc1ccc(NC(=O)c2cccc(-c3ccccc3NC(=N)N)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.47
CA9 Q16790 4/20 0.47
CA1 P00915 3/20 0.47
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
CA2 P00918 3/20 0.45
FFAR1 O14842 1/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 1/20 0.43
MDM2 Q00987 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGAV P06756 1/20 0.42
ITGA2B P08514 1/20 0.42
ITGB5 P18084 1/20 0.42
RAB9A P51151 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 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
SCHEMBL8520928 0.87 FFAR1 (0.48) CA12CA9CA1NPY1RNPY2R
SCHEMBL7510028 0.85 CA12 (0.51) CA12CA9CA1CA2MAPT
SCHEMBL8520922 0.80 FFAR1 (0.46) FFAR1MAPTITGB3ITGA2BNPSR1
SCHEMBL7510036 0.78 CA12 (0.49) CA12CA9CA1CA2FFAR1
SCHEMBL7496758 0.76 ITGB3 (0.52) CA12CA9CA1CA2MAPT
SCHEMBL7494476 0.75 TDP1 (0.50) CA12CA9CA1CA2MAPT
SCHEMBL7494466 0.75 TDP1 (0.50) CA12CA9CA1CA2MAPT
SCHEMBL7495116 0.75 ITGB3 (0.55) MAPTLMNAITGB3ITGAVITGA2B
SCHEMBL7495105 0.75 ITGB3 (0.55) MAPTLMNAITGB3ITGAVITGA2B
SCHEMBL7494348 0.75 ITGB3 (0.51) MAPTLMNAITGB3ITGB1ITGAV

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0894084-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-02-03 EP claimed
WO-1997036860-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed