SCHEMBL2886536

SCHEMBL2886536

C=CCc1ccc2c(-c3[c]ccc4cc(CC=C)ccc34)[c]ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.46
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
GABRA1 P14867 4/20 0.41
GABRB2 P47870 4/20 0.41
MEN1 O00255 3/20 0.41
GAA P10253 3/20 0.41
CNR2 P34972 3/20 0.41
KMT2A Q03164 3/20 0.41
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
CNR1 P21554 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH2 P05091 1/20 0.41
AKR1B1 P15121 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PPARA Q07869 1/20 0.39
CYP3A4 P08684 3/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL5888945 0.83 XDH (0.47) XDHALDH1A1MAPTGABRA1GABRB2
SCHEMBL5888932 0.73 XDH (0.47) XDHALDH1A1MAPTGABRA1GABRB2
SCHEMBL3259762 0.72 XDH (0.58) XDHALDH1A1MAPTGABRA1GABRB2
SCHEMBL30083985 0.71 ALDH1A1 (0.48) XDHALDH1A1MAPTGABRA1GABRB2
SCHEMBL16487290 0.71 ALDH1A1 (0.48) XDHALDH1A1MAPTGABRA1GABRB2
SCHEMBL7555913 0.71 XDH (0.56) XDHALDH1A1MAPTGABRA1GABRB2
SCHEMBL18394267 0.70 XDH (0.43) XDHALDH1A1MAPTGABRA1GABRB2
SCHEMBL3220497 0.70 XDH (0.43) XDHALDH1A1MAPTGABRA1GABRB2
SCHEMBL28864347 0.70 GABRA1 (0.46) XDHALDH1A1MAPTGABRA1GABRB2
SCHEMBL15255826 0.69 XDH (0.55) XDHALDH1A1MAPTGABRA1GABRB2

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 5 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
EP-1354886-A1 Process for the preparation of tertiary phosphines Bayer Aktiengesellschaft (DE) 2003-10-22 EP disclosed