SCHEMBL9017642

SCHEMBL9017642

COc1cc(Cl)cc(CP(=O)(O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 2/20 0.47
PGK2 P07205 2/20 0.47
THRA P10827 3/20 0.40
THRB P10828 3/20 0.40
MARS1 P56192 2/20 0.40
PTPRB P23467 2/20 0.40
FFAR4 Q5NUL3 1/20 0.38
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
WDR5 P61964 1/20 0.37
CNR1 P21554 1/20 0.37
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL5798610 0.87 PGK1 (0.55) PGK1PGK2THRATHRBPTPRB
SCHEMBL23580818 0.81 CALM1 (0.53) PGK1PGK2THRATHRBPTPRB
SCHEMBL1346785 0.79 PGK1 (0.47) PGK1PGK2THRATHRBPTPRB
SCHEMBL3933664 0.76 MARS1 (0.41) MARS1FFAR4GRIN2DGRIN3BGRIN1
SCHEMBL586319 0.76 DAO (0.43) THRBMARS1FFAR4GRIN2DGRIN3B
SCHEMBL5672502 0.74 MMP13 (0.53) PGK1PGK2
SCHEMBL21102126 0.74 MARS1 (0.43) MARS1FFAR4GRIN2DGRIN3BGRIN1
SCHEMBL27406782 0.74 MARS1 (0.43) MARS1FFAR4GRIN2DGRIN3BGRIN1
SCHEMBL6367068 0.74 PTGS1 (0.51) THRATHRBMARS1FFAR4MAPT
SCHEMBL8223455 0.74 PTGS2 (0.43) MARS1FFAR4GRIN2DGRIN3BGRIN1

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-5538847-A Chemiluminescent 1,2-dioxetanes TROPIX, INC. (US) 1996-07-23 US disclosed