SCHEMBL4757129

SCHEMBL4757129

CCc1ccc(CCOc2ccc(CC3SC(NS(C)(=O)=O)=NC3=O)cc2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.62
CYP3A4 P08684 1/20 0.61
RXRA P19793 1/20 0.61
MPC2 O95563 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
CACNA1F O60840 1/20 0.35
CHRM2 P08172 1/20 0.35
ACHE P22303 1/20 0.35
AGTR1 P30556 1/20 0.35
DRD3 P35462 1/20 0.35
CACNA1D Q01668 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL4754470 0.87 PPARG (0.56) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL10281156 0.81 PPARG (0.67) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL11925107 0.78 PPARG (0.64) PPARGCYP3A4RXRAMPC2CYP2C8
Pioglitazone SCHEMBL5216268 0.77 PPARG (0.92) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL4756127 0.77 HPGD (0.48) PPARGCYP3A4RXRAHPGDKMT2A
SCHEMBL4756120 0.77 HPGD (0.48) PPARGCYP3A4RXRAHPGDKMT2A
Pioglitazone SCHEMBL4121 0.77 PPARG (1.00) PPARGCYP3A4RXRAMPC2CYP2C8
Pioglitazone SCHEMBL21844 0.77 PPARG (1.00) PPARGCYP3A4RXRAMPC2CYP2C8
Pioglitazone SCHEMBL29593116 0.77 PPARG (1.00) PPARGCYP3A4RXRAMPC2CYP2C8
Pioglitazone SCHEMBL1162440 0.77 PPARG (1.00) 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