SCHEMBL13801014

SCHEMBL13801014

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
HMGCR P04035 2/20 0.37
ESR1 P03372 3/20 0.36
ESR2 Q92731 1/20 0.36
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
HMGB1 P09429 1/20 0.35
CXCL12 P48061 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
HDAC1 Q13547 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
NR1I2 O75469 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.33
SHBG P04278 1/20 0.33

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
SCHEMBL15705739 0.87 HMGCR (0.52) POLBHMGCRMEN1KMT2AGAA
SCHEMBL8990147 0.84 MAPT (0.44) POLBHMGCRESR1ESR2PGK1
SCHEMBL9549401 0.84 PPARD (0.41) POLBHMGCRESR1ESR2PGK1
SCHEMBL18383706 0.82 POLB (0.39) POLBHMGCRPGK1PGK2PTGS2
SCHEMBL1459085 0.81 POLB (0.36) POLBHMGCRESR1MEN1KMT2A
SCHEMBL15101340 0.80 MAPT (0.38) POLBHMGCRESR1ESR2PGK1
SCHEMBL4212110 0.79 THRA (0.48) POLBESR1ESR2HDAC1CA1
SCHEMBL12660721 0.79 HMGCR (0.61) POLBHMGCRMEN1KMT2AGAA
SCHEMBL11300456 0.76 HMGCR (0.39) POLBHMGCRHDAC1NR1I2
SCHEMBL4212156 0.74 THRA (0.46) POLBESR1ESR2HDAC1THRA

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-20090163621-A1 Process for improving color of polycondensates SIMON DIRK 2009-06-25 US disclosed