SCHEMBL19354556

SCHEMBL19354556

Cc1cc(C(=O)OC2CN(C3COC3)C2)ccc1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.38
CYP2D6 P10635 4/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CYP2C19 P33261 2/20 0.36
HTR3E A5X5Y0 2/20 0.36
HTR3B O95264 2/20 0.36
HTR3A P46098 2/20 0.36
HTR3D Q70Z44 2/20 0.36
HTR3C Q8WXA8 2/20 0.36
CYP1A2 P05177 1/20 0.36
NR1I2 O75469 1/20 0.36
KDM2B Q8NHM5 1/20 0.35
HTR7 P34969 2/20 0.35
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
LMNA P02545 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
SCHEMBL19321926 0.87 KMT2A (0.40) CYP2D6KMT2AMEN1CYP2C19HTR3E
SCHEMBL19354548 0.86 FKBP1A (0.40) FKBP1ACYP2D6KMT2AMEN1CYP2C19
SCHEMBL19354671 0.84 SCN1A (0.46) CYP2D6KMT2AMEN1CYP2C19HTR3E
SCHEMBL19317301 0.81 HTR7 (0.37) CYP2D6KMT2AMEN1CYP2C19HTR3E
SCHEMBL19354883 0.80 PDE4D (0.46) FKBP1ACYP2D6SCN1ASCN2ASCN3A
SCHEMBL19322233 0.77 SCN1A (0.43) CYP2D6KMT2AMEN1SCN1ASCN2A
SCHEMBL19322079 0.76 SCN1A (0.53) KMT2AMEN1HTR7SCN1ASCN2A
SCHEMBL19321980 0.76 SCN1A (0.63) CYP2D6KMT2AMEN1CYP2C19HTR3E
SCHEMBL19321925 0.71 PTPN1 (0.44) KMT2AHTR7SCN1ASCN2ASCN3A
SCHEMBL28403096 0.70 TDP1 (0.46) FKBP1AKMT2AMEN1CYP1A2HSP90AA1

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