SCHEMBL27385302

SCHEMBL27385302

Cc1cc(C(=O)O)c(CCl)c(C(=O)O)c1CCC(C)C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
LDHA P00338 2/20 0.32
LDHB P07195 2/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
ALDH1A1 P00352 2/20 0.31
BRS3 P32247 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRM1 Q13255 1/20 0.31
HMGB1 P09429 1/20 0.30

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
SCHEMBL27385298 0.80 LDHA (0.32) LDHALDHB
SCHEMBL27491925 0.79 P2RY1 (0.33)
SCHEMBL27475100 0.79 LDHA (0.44) LDHALDHBALDH1A1KDM4EGAA
SCHEMBL27483104 0.79 L3MBTL1 (0.35) ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL27481644 0.79 KDM4E (0.32) LDHALDHBALDH1A1KDM4EGAA
SCHEMBL27447625 0.76 GRIN2D (0.39) ALDH1A1BRS3MAPK1GRIN2DGRIN2A
SCHEMBL27490519 0.75 KDM4E (0.43) ALDH1A1BRS3KDM4EHSD17B10MAPK1
SCHEMBL8462262 0.75 KDM4E (0.45) THRBALDH1A1BRS3KDM4EGAA
SCHEMBL27483105 0.74 LDHA (0.42) LDHALDHBALDH1A1GAA
SCHEMBL6046232 0.74 KDM4E (0.40) ALDH1A1BRS3KDM4EGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1068318-C 2-substituted 1,2, 5-thiadiazolidin-3-one 1, 1-dioxides and compositions and methods of use thereof SANOFI SYNTHELABO (FR) 2001-07-11 CN disclosed
CN-1173176-A 2 -substituted 1, 2, 5 -thiadiazolidin-3 -one 1, 1-dioxides and compositions and method of use thereof SANOFI WINTHROP INC (US) 1998-02-11 CN disclosed
CN-1173175-A Substituted 2-arylcarbonyloxymethyl-1, 2, 5-thiadiazolidin-3-one 1, 1-dioxide derivatives and compositions and methods of use thereof SANOFI WINTHROP INC (US) 1998-02-11 CN disclosed
CN-1173130-A 2 -heterocyclyloxy and thiomethyl -1, 2, 5 -thiadiazolidin -3 -one 1, 1 -dioxides and compositions and method of use thereof SANOFI WINTHROP INC (US) 1998-02-11 CN disclosed
CN-1173179-A Substituted 2 -(phosphinyloxymethyl) -1, 2, 5 -thiadiazolidin -3 -one 1, 1 -dioxides and compositions and method of use thereof SANOFI WINTHROP INC (US) 1998-02-11 CN disclosed