SCHEMBL7290875

SCHEMBL7290875

Fc1cccc2c1[C]CCO2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
CRHBP P24387 2/20 0.34
CRHR2 Q13324 2/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 2/20 0.31
PKLR P30613 2/20 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
SCHEMBL7290581 0.77 ITGB2 (0.38) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL9584137 0.77 MAP3K14 (0.43) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL7294185 0.77 ITGB2 (0.38) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL7302180 0.77 ITGB2 (0.34) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL9583523 0.73 CTNNB1 (0.43) ITGB2ICAM1ITGALLMNANPC1
SCHEMBL7300190 0.73 TRPA1 (0.36) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL7293468 0.73 ITGB2 (0.31) ITGB2ICAM1ITGAL
SCHEMBL7299199 0.69 ADRA2A (0.33)
SCHEMBL1450831 0.67 ITGB2 (0.50) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL433176 0.67 ITGB2 (0.50) ITGB2ICAM1ITGALSMN1; SMN2LMNA

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