SCHEMBL2886599

SCHEMBL2886599

[c]1cccc2c1-c1[c]cccc1OCCO2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.52
ICAM1 P05362 1/20 0.52
ITGAL P20701 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
HTT P42858 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.35
GAA P10253 1/20 0.34
ALOX5 P09917 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ADRB1 P08588 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
SCHEMBL2884931 0.86 ABCG2 (0.52) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL21462 0.79 ITGB2 (0.50) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL4574231 0.74 LMNA (0.56) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL4573750 0.74 LMNA (0.56) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL2885484 0.73 BRD4 (0.32)
SCHEMBL2884998 0.73 BRD4 (0.32)
SCHEMBL103524 0.73
SCHEMBL3417718 0.73 SMN1; SMN2 (0.48) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL5841463 0.73 MAOA (0.48) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL106757 0.71 ITGB2 (0.41) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7847126-B2 prepared by reacting phosphorus halide with organomagnesium compound in presence of copper compound; di(tert-butyl)phenylphosphonium tetrafluoroborate, for example LANXESS DEUTSCHLAND GMBH (DE) 2010-12-07 US disclosed
US-20070299273-A1 prepared by reacting phosphorus halide with organomagnesium compound in presence of copper compound; di(tert-butyl)phenylphosphonium tetrafluoroborate, for example LANXESS DEUTSCHLAND GMBH (DE) 2007-12-27 US disclosed
US-7230136-B2 Reacting phosphorus halide with organomagnesium compound in presence of copper compound LANXESS DEUTSCHLAND GMBH (DE) 2007-06-12 US disclosed
US-20030229240-A1 Reacting phosphorus halide with organomagnesium compound in presence of copper compound LANXESS DEUTSCHLAND GMBH (DE) 2003-12-11 US disclosed