SCHEMBL8625440

SCHEMBL8625440

CCCCCc1ccc(-c2ccc(/C=C/CC(P(=O)(OCC)OCC)S(=O)(=O)O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.40
RARB P10826 5/20 0.38
EED O75530 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
RARA P10276 1/20 0.38
MAPT P10636 1/20 0.38
MTOR P42345 1/20 0.38
KMT2A Q03164 1/20 0.38
S1PR2 O95136 4/20 0.37
S1PR1 P21453 4/20 0.37
S1PR3 Q99500 4/20 0.37
S1PR4 O95977 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
CASP3 P42574 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP8 Q96LD8 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
SCHEMBL8625446 1.00 FDFT1 (0.40) FDFT1RARBEEDALDH1A1MEN1
SCHEMBL8625391 0.96 S1PR1 (0.41) S1PR2S1PR1S1PR3S1PR4SPHK2
SCHEMBL8625397 0.96 S1PR1 (0.41) S1PR2S1PR1S1PR3S1PR4SPHK2
SCHEMBL8624983 0.93 EED (0.40) FDFT1EEDALDH1A1MAPTKDM4E
SCHEMBL8624984 0.93 EED (0.40) FDFT1EEDALDH1A1MAPTKDM4E
SCHEMBL8624891 0.87 EED (0.39) EEDALDH1A1MEN1KMT2AS1PR1
SCHEMBL8624889 0.87 EED (0.39) EEDALDH1A1MEN1KMT2AS1PR1
SCHEMBL8618052 0.87 ENPP2 (0.45) FDFT1RARBALDH1A1MEN1RARA
SCHEMBL8618048 0.87 ENPP2 (0.45) FDFT1RARBALDH1A1MEN1RARA
Potassium SCHEMBL9161975 0.86 ENPP2 (0.44) FDFT1RARBALDH1A1MEN1RARA

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-5712396-A PHOSPHONOSULFONATE COMPOUNDS USED FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND ATHEROSCLEROSIS MAGNIN DAVID R (US) 1998-01-27 US disclosed