SCHEMBL2886899

SCHEMBL2886899

[c]1cccc2c1-c1[c]cccc1O[C@@H](c1ccccc1)CO2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 19/20 0.43
KDM4E B2RXH2 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
AR P10275 1/20 0.41
CYP19A1 P11511 1/20 0.41
MAOB P27338 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL2887761 1.00 LTA4H (0.43) LTA4HKDM4EADORA3ARCYP19A1
SCHEMBL2478986 0.79 LTA4H (0.61) LTA4H
SCHEMBL2884998 0.76 BRD4 (0.32)
SCHEMBL2885484 0.76 BRD4 (0.32)
SCHEMBL21462528 0.73 LTA4H (0.56) LTA4H
SCHEMBL3395216 0.70 TSHR (0.45) LTA4HKDM4EADORA3ARCYP19A1
SCHEMBL2886599 0.69 ITGB2 (0.52) KDM4E
SCHEMBL2884931 0.69 ABCG2 (0.52)
SCHEMBL3146324 0.69 MAPT (0.45) LTA4HKDM4EMAOBHSD17B10
SCHEMBL12699770 0.67 LTA4H (0.59) LTA4H

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