SCHEMBL5588971

SCHEMBL5588971

CCCCOc1c(O)c(O)c(C(=O)O)c(CCCC)c1CCCC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.42
LDHB P07195 2/20 0.42
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
PLA2G4B P0C869 2/20 0.38
FFAR1 O14842 1/20 0.38
ESR1 P03372 1/20 0.38
SLC37A4 O43826 1/20 0.36
BID P55957 3/20 0.36
MCL1 Q07820 3/20 0.36
RARB P10826 3/20 0.36
BCL2L1 Q07817 2/20 0.36
BAK1 Q16611 2/20 0.36
KAT8 Q9H7Z6 1/20 0.36

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
SCHEMBL5589662 0.95 BID (0.41) LDHALDHBTHRATHRBTP53
SCHEMBL5590137 0.94 BID (0.43) LDHALDHBTHRATHRBTP53
SCHEMBL5587752 0.94 BID (0.43) LDHALDHBTHRATHRBTP53
SCHEMBL5587444 0.94 BID (0.43) LDHALDHBTHRATHRBTP53
SCHEMBL5588484 0.94 BID (0.43) LDHALDHBTHRATHRBTP53
SCHEMBL5587482 0.94 PLA2G2A (0.43) THRATHRBTP53TSHRPLA2G4B
SCHEMBL5589504 0.94 BID (0.43) LDHALDHBTHRATHRBTP53
SCHEMBL5586922 0.94 LDHA (0.46) LDHALDHBTHRATHRBTP53
SCHEMBL5588361 0.91 LDHA (0.43) LDHALDHBTHRATHRBTP53
SCHEMBL5588155 0.91 BID (0.43) THRATHRBTP53TSHRPLA2G4B

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
EP-1857462-B9 POLYOXYALKYLENE DERIVATIVE NOF CORP (JP) 2013-02-13 EP disclosed
WO-2012020981-A3 GLASS SUBSTRATE MANUFACTURING METHOD AND GLASS THEREOF 연세대학교 산학협력단 (KR) 2012-05-10 WO disclosed
EP-1857462-B1 POLYOXYALKYLENE DERIVATIVE NOF CORP (JP) 2011-12-07 EP disclosed
EP-1857462-A1 POLYOXYALKYLENE DERIVATIVE NOF CORPORATION (JP) 2007-11-21 EP disclosed