SCHEMBL7302177

SCHEMBL7302177

FC(F)(F)c1cccc2c1[CH]CCO2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.36
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
CTNNB1 P35222 3/20 0.33
WNT3A P56704 3/20 0.33
LMNA P02545 2/20 0.32
CRHBP P24387 2/20 0.32
CRHR2 Q13324 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 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) EGFRITGB2ICAM1ITGALLMNA
SCHEMBL7293462 0.75 HTR2A (0.33) ITGB2ICAM1ITGAL
SCHEMBL29604730 0.72 ITGB2 (0.44) EGFRITGB2ICAM1ITGALCTNNB1
SCHEMBL7290576 0.72 ITGB2 (0.39) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL7294182 0.72 ITGB2 (0.39) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL9584132 0.72 MAP3K14 (0.44) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL20858620 0.70 ITGB2 (0.38) EGFRITGB2ICAM1ITGALCTNNB1
SCHEMBL7298517 0.68 KMT2A (0.31) KMT2A
SCHEMBL9583519 0.68 CTNNB1 (0.40) ITGB2ICAM1ITGALCTNNB1WNT3A
SCHEMBL7300186 0.68 ITGB2 (0.35) EGFRITGB2ICAM1ITGALLMNA

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