SCHEMBL8003801

SCHEMBL8003801

CS(=O)(=O)Oc1cccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.56
PPARA Q07869 2/20 0.56
PPARG P37231 9/20 0.55
MPC2 O95563 1/20 0.55
CYP2C8 P10632 1/20 0.55
CYP2C9 P11712 1/20 0.55
PTPN1 P18031 1/20 0.54
CYP3A4 P08684 2/20 0.53
RXRA P19793 1/20 0.53
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL8000477 0.89 PPARG (0.60) FFAR1PPARAPPARGMPC2CYP2C8
SCHEMBL6931105 0.87 PPARG (0.70) FFAR1PPARAPPARGMPC2CYP2C8
SCHEMBL7987726 0.85 PTPN1 (0.59) FFAR1PPARAPPARGMPC2CYP2C8
SCHEMBL7987911 0.84 PTPN1 (0.79) FFAR1PPARAPPARGMPC2CYP2C8
SCHEMBL19217676 0.82 FFAR1 (0.61) FFAR1PPARAPPARGMPC2CYP2C8
SCHEMBL6930674 0.82 FFAR1 (0.61) FFAR1PPARAPPARGMPC2CYP2C8
SCHEMBL19217845 0.82 FFAR1 (0.61) FFAR1PPARAPPARGMPC2CYP2C8
SCHEMBL8000591 0.82 PTPN1 (0.57) FFAR1PPARAPPARGPTPN1CYP3A4
SCHEMBL7996885 0.82 PPARG (0.61) FFAR1PPARAPPARGMPC2CYP2C8
SCHEMBL12515224 0.81 FFAR1 (0.69) FFAR1PPARAPPARGCYP3A4RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288096-B1 ANTIDIABETIC AGENTS, HYPOTENSIVE AGENTS, AND ANTICHOLESTEROL AGENTS ASTRAZENECA AB (SE) 2001-09-11 US disclosed
EP-0991632-A1 NEW THIAZOLIDINEDIONE, OXAZOLIDINEDIONE AND OXADIAZOLIDINEDIONE DERIVATIVES Astra Aktiebolag (SE) 2000-04-12 EP disclosed
WO-1998057941-A1 NEW THIAZOLIDINEDIONE, OXAZOLIDINEDIONE AND OXADIAZOLIDINEDIONE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1998-12-23 WO disclosed