SCHEMBL4757153

SCHEMBL4757153

CCc1ccc(CCOc2ccc(CC3SC(N4CCOCC4)=NC3=O)cc2)nc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.59
CYP3A4 P08684 1/20 0.58
RXRA P19793 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 5/20 0.44
LMNA P02545 2/20 0.44
MPC2 O95563 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PRKDC P78527 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
FKBP1A P62942 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 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
SCHEMBL10281156 0.79 PPARG (0.67) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL4756809 0.78 ALOX5 (0.58) MAPTMEN1KMT2ACYP1A2
SCHEMBL4756816 0.78 ALOX5 (0.58) MAPTMEN1KMT2ACYP1A2
SCHEMBL12060194 0.78 PPARG (0.66) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL18388427 0.77 PPARG (0.65) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL11925107 0.76 PPARG (0.64) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL10281135 0.76 PPARG (0.64) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL13743064 0.76 PPARG (0.69) PPARGCYP3A4RXRAL3MBTL1MAPT
SCHEMBL26328531 0.76 PPARG (0.69) PPARGCYP3A4RXRAL3MBTL1MAPT
SCHEMBL4757129 0.75 PPARG (0.62) PPARGCYP3A4RXRAMPC2CYP2C8

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-2008075380-A2 PROCESS FOR THE PREPARATION OF THIAZOLIDINE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2008-06-26 WO disclosed