SCHEMBL19354548

SCHEMBL19354548

Cc1cc(C(=O)OC2COC2)ccc1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
CYP2D6 P10635 3/20 0.37
HTR7 P34969 1/20 0.37
PDE4D Q08499 2/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
KMT2A Q03164 3/20 0.36
PTPN2 P17706 2/20 0.36
PTPN1 P18031 2/20 0.36
GRM1 Q13255 2/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 2/20 0.36
PTPRF P10586 1/20 0.36
POLB P06746 1/20 0.36
CYP2C19 P33261 1/20 0.35
HTR3E A5X5Y0 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
SCHEMBL19354883 0.90 PDE4D (0.46) FKBP1ACYP2D6PDE4DSCN1ASCN2A
SCHEMBL19354556 0.86 FKBP1A (0.38) FKBP1ACYP2D6HTR7SCN1ASCN2A
SCHEMBL19322233 0.84 SCN1A (0.43) CYP2D6SCN1ASCN2ASCN3AKMT2A
SCHEMBL19321925 0.84 PTPN1 (0.44) HTR7SCN1ASCN2ASCN3AKMT2A
SCHEMBL19354671 0.83 SCN1A (0.46) CYP2D6HTR7SCN1ASCN2ASCN3A
SCHEMBL19321980 0.80 SCN1A (0.63) CYP2D6HTR7SCN1ASCN2ASCN3A
SCHEMBL19354676 0.80 PTPN1 (0.41) TDP1CYP2D6HTR7SCN1ASCN2A
SCHEMBL19322079 0.78 SCN1A (0.53) HTR7SCN1ASCN2ASCN3AKMT2A
SCHEMBL19317312 0.78 HTR7 (0.39) CYP2D6HTR7PDE4DSCN1ASCN2A
SCHEMBL28403096 0.77 TDP1 (0.46) FKBP1ATDP1PLA2G1BATG4BKMT2A

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
WO-2017155910-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-09-14 WO disclosed