SCHEMBL7294182

SCHEMBL7294182

Clc1cccc2c1[CH]CCO2

nearest known ligand 0.39

Predicted protein targets (top 19)

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
AHR P35869 2/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2A13 Q16696 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
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
SCHEMBL9584132 0.76 MAP3K14 (0.44) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL7290576 0.76 ITGB2 (0.39) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL7290867 0.76 ITGB2 (0.39) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL7300186 0.72 ITGB2 (0.35) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL7302177 0.72 EGFR (0.36) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL9583519 0.72 CTNNB1 (0.40) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL7293462 0.68 HTR2A (0.33) ITGB2ICAM1ITGALHTR2CHTR2B
SCHEMBL3787577 0.68 ITGB2 (0.50) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL15129420 0.68 ADRA2A (0.38) LMNAAHRHTR2CHTR2BCYP1A2
SCHEMBL7298266 0.68 NOTUM (0.38) AHRHTR2CHTR2BCYP1A2CYP2A6

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