SCHEMBL7302180

SCHEMBL7302180

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
CTNNB1 P35222 2/20 0.33
WNT3A P56704 2/20 0.33
EGFR P00533 1/20 0.33
LMNA P02545 2/20 0.31
CRHBP P24387 2/20 0.31
CRHR2 Q13324 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7290875 0.77 ITGB2 (0.38) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL7293468 0.76 ITGB2 (0.31) ITGB2ICAM1ITGAL
SCHEMBL7294185 0.73 ITGB2 (0.38) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL7290581 0.73 ITGB2 (0.38) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL9584137 0.73 MAP3K14 (0.43) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL7312064 0.72 TAAR1 (0.31)
SCHEMBL29604730 0.71 ITGB2 (0.44) ITGB2ICAM1ITGALCTNNB1WNT3A
SCHEMBL20858620 0.69 ITGB2 (0.38) ITGB2ICAM1ITGALCTNNB1WNT3A
SCHEMBL7300190 0.69 TRPA1 (0.36) ITGB2ICAM1ITGALEGFRLMNA
SCHEMBL9583523 0.69 CTNNB1 (0.43) ITGB2ICAM1ITGALCTNNB1WNT3A

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