SCHEMBL9549401

SCHEMBL9549401

CCOP(=O)(O)Cc1cc(C)c(O)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.41
PGK1 P00558 3/20 0.40
PGK2 P07205 3/20 0.40
POLB P06746 2/20 0.38
HMGCR P04035 2/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 1/20 0.37
PTPRB P23467 2/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
HMGB1 P09429 1/20 0.36
CXCL12 P48061 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
NR1I2 O75469 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
SCHEMBL8990147 0.86 MAPT (0.44) PPARDPGK1PGK2POLBHMGCR
SCHEMBL6045256 0.85 PPARD (0.50) PPARDPGK1PGK2POLBHMGCR
SCHEMBL13801014 0.84 POLB (0.37) PGK1PGK2POLBHMGCRESR1
SCHEMBL13899110 0.84 PGK1 (0.41) PGK1PGK2ESR1ESR2PTPRB
SCHEMBL6028463 0.81 PPARD (0.44) PPARDPGK1PGK2POLBHMGCR
SCHEMBL15101340 0.81 MAPT (0.38) PPARDPGK1PGK2POLBHMGCR
SCHEMBL6313998 0.79 PGK1 (0.63) PGK1PGK2ESR1ESR2PTPRB
SCHEMBL45804 0.78 HMGCR (0.62) POLBHMGCRMEN1GAAKMT2A
Potassium SCHEMBL4892236 0.77 HMGCR (0.61) HMGCRPTGS1PTGS2MEN1GAA
SCHEMBL13483980 0.77 PPARD (0.37) PPARDPGK1PGK2POLBHMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5194564-A None JP disclosed
US-20090163621-A1 Process for improving color of polycondensates SIMON DIRK 2009-06-25 US disclosed
US-7510809-B2 Electrophotographic photoreceptor with two layer charge transfer layer, and apparatus utilizing the same KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2009-03-31 US disclosed
JP-H05194564-A PRODUCTION OF SUBSTITUTED BENZYLPHOSPHONIC ACID ESTER MITSUBISHI PETROCHEM CO LTD 1993-08-03 JP disclosed