SCHEMBL7948363

SCHEMBL7948363

CCOc1ccc(P(c2ccc(OCC)cc2)c2ccc3ccccc3c2-c2c(P(c3ccc(OCC)cc3)c3ccc(OCC)cc3)ccc3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
NQO1 P15559 1/20 0.41
LTA4H P09960 1/20 0.41
MAPT P10636 5/20 0.40
ALOX5 P09917 1/20 0.40
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
RAD52 P43351 1/20 0.40

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
SCHEMBL301026 0.83 MAPT (0.51) L3MBTL1GAATDP1KMT2AMEN1
SCHEMBL29361524 0.78 MAPT (0.39) L3MBTL1MAPK1TDP1KMT2AMEN1
SCHEMBL29176 0.78 MAPT (0.39) L3MBTL1MAPK1TDP1KMT2AMEN1
SCHEMBL5107 0.77 ALDH1A1 (0.44) MAPK1TDP1MAPTKDM4ECYP1A2
SCHEMBL29350037 0.77 ALDH1A1 (0.44) MAPK1TDP1MAPTKDM4ECYP1A2
SCHEMBL10323632 0.77 ALDH1A1 (0.44) MAPK1TDP1MAPTKDM4ECYP1A2
SCHEMBL29496111 0.77 ALDH1A1 (0.44) MAPK1TDP1MAPTKDM4ECYP1A2
SCHEMBL146878 0.77 ALDH1A1 (0.44) MAPK1TDP1MAPTKDM4ECYP1A2
SCHEMBL2390135 0.77 MAPT (0.36) L3MBTL1GAATDP1MAPTALOX5
SCHEMBL635229 0.77 MEN1 (0.42) L3MBTL1GAAMAPK1TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6184415-B1 ASYMMETRIC HYDROGENATION OF A 2-HALO(ELECTRONEGATIVE)ALKENOIC ACID/SALT (2-HALOACRYLIC ACID OR SALT), USING AN ENANTIOMETRICAL RICHED CATALYST OF 2,2'-BIS(DIARYLPHOSPHINO-PHINO-1,1'-BINAPHTHYL COMPLEX OF RUTHENIUM; HALIDE PROMOTERS ALBEMARLE CORPORATION 2001-02-06 US disclosed