SCHEMBL8458648

SCHEMBL8458648

O=Cc1ccc2c(c1)CCC(COCc1ccccc1)O2.O=P(Cl)(Cl)Cl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
LMNA P02545 1/20 0.40
CA2 P00918 1/20 0.38
DRD2 P14416 9/20 0.38
DRD4 P21917 9/20 0.38
DRD3 P35462 9/20 0.38
DRD1 P21728 2/20 0.38
DRD5 P21918 2/20 0.38
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HTR6 P50406 1/20 0.37

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
SCHEMBL7629751 0.95 LMNA (0.43) ITGB3ITGA2BLMNACA2DRD2
SCHEMBL9151283 0.80 HTR1A (0.45) DRD2DRD4DRD3DRD1DRD5
SCHEMBL8804880 0.80 HTR1A (0.45) DRD2DRD4DRD3DRD1DRD5
SCHEMBL8805795 0.77 ITGB3 (0.51) ITGB3ITGA2BLMNACA2HTR6
SCHEMBL9127805 0.77 ITGB3 (0.51) ITGB3ITGA2BLMNACA2HTR6
SCHEMBL7636277 0.77 ITGB3 (0.48) ITGB3ITGA2BLMNACA2DRD2
SCHEMBL7631192 0.77 CA2 (0.57) LMNACA2DRD2DRD4DRD3
SCHEMBL7634476 0.76 DRD2 (0.39) DRD2DRD4DRD3DRD1DRD5
SCHEMBL8317334 0.75 ITGB3 (0.51) ITGB3ITGA2BLMNACA2DRD2
SCHEMBL7628633 0.73 MAOA (0.41) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888327-A1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1999-01-07 EP disclosed
WO-1997034885-A1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-09-25 WO disclosed