SCHEMBL3908397

SCHEMBL3908397

CCOP(=O)(O)C(CC)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.38
TSHR P16473 3/20 0.37
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36
FOLH1 Q04609 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PGD P52209 1/20 0.34
POLB P06746 1/20 0.34
LAP3 P28838 1/20 0.34

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
SCHEMBL28156892 0.86 PGK1 (0.35) PPARDPGK1PGK2FOLH1PGD
SCHEMBL9184937 0.84 FOLH1 (0.38) PPARDTSHRPGK1PGK2FOLH1
SCHEMBL7718920 0.82 POLB (0.39) PPARDTSHRALDH1A1TP53TDP1
SCHEMBL262483 0.81 POLB (0.43) PPARDTSHRTP53TDP1POLB
SCHEMBL3900935 0.81 FOLH1 (0.42) PGK1PGK2FOLH1LAP3
SCHEMBL22207787 0.79 TSHR (0.37) PPARDTSHRPGK1PGK2FOLH1
SCHEMBL21059309 0.79 LAP3 (0.37) PGK1PGK2FOLH1LAP3
SCHEMBL12473689 0.79 PGK1 (0.36) PGK1PGK2FOLH1TDP1PGD
SCHEMBL13924966 0.78 SMPD1 (0.46) PPARDLAP3
SCHEMBL2982447 0.78 TSHR (0.38) PPARDTSHRPGK1PGK2FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554330-B1 PARTIALLY ESTER-EXCHANGED SIPM AND PROCESS THEREWITH INVISTA TECH SARL (CH) 2009-03-11 EP claimed
EP-1615934-B1 TITANIUM CHELATE DISPERSIONS DU PONT (US) 2007-06-27 EP claimed