SCHEMBL7290576

SCHEMBL7290576

Brc1cccc2c1[CH]CCO2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
LMNA P02545 2/20 0.35
CRHBP P24387 2/20 0.35
CRHR2 Q13324 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.30
MAP3K14 Q99558 1/20 0.30

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
SCHEMBL7290867 0.76 ITGB2 (0.39) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL7294182 0.76 ITGB2 (0.39) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL9584132 0.76 MAP3K14 (0.44) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL7302177 0.72 EGFR (0.36) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL9583519 0.72 CTNNB1 (0.40) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL7300186 0.72 ITGB2 (0.35) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL7293462 0.68 HTR2A (0.33) ITGB2ICAM1ITGAL
SCHEMBL15129393 0.68 BCHE (0.33)
SCHEMBL4564550 0.68 ITGB2 (0.50) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL7292143 0.68 ADRA2A (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5260444-A Cardiovascular, hypotensive WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-11-09 US disclosed
US-5208245-A Hypotensive agents WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-05-04 US disclosed
EP-0460418-A2 Novel Dihydropyridine derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-12-11 EP disclosed