SCHEMBL22973754

SCHEMBL22973754

CCOP(=O)(CCc1cc(CBr)cc(Cc2cc(CCP(=O)(O)O)cc(CCP(=O)(O)O)c2)c1)OCC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.39
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
TSHR P16473 1/20 0.32
PGK1 P00558 1/20 0.30
PGK2 P07205 1/20 0.30
MAPT P10636 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL21428989 0.89 PPARD (0.35) PPARDTSHR
SCHEMBL31418408 0.89 PPARD (0.35) PPARDTSHR
SCHEMBL22973763 0.87 PPARD (0.43) PPARDTHRATHRBGRIN2DGRIN3B
SCHEMBL22973752 0.84 THRA (0.38) PPARDTHRATHRB
SCHEMBL22973722 0.81 GRIN2D (0.43) THRATHRBGRIN2DGRIN3BGRIN1
SCHEMBL22973762 0.78 PPARD (0.36) PPARD
SCHEMBL21428992 0.77 PPARD (0.42) PPARDTSHRMAPTPOLB
Phosphonic Acid SCHEMBL7032520 0.75 GRIN2D (0.39) THRATHRBGRIN2DGRIN3BGRIN1
SCHEMBL29108971 0.74 PPARD (0.36) PPARDTSHRMAPTPOLB
SCHEMBL21408255 0.73 CYP4A11 (0.36) PPARDTSHRMAPTPOLB

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
EP-3778612-A1 PHOSPHATE DERIVATIVES AND USE THEREOF Zhu, Qing (CN) 2021-02-17 EP disclosed