SCHEMBL5208375

SCHEMBL5208375

C=CCc1c(O)ccc2c(CCc3ccccc3)csc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.35
PLA2G2A P14555 1/20 0.33
XDH P47989 1/20 0.33
HSD17B3 P37058 1/20 0.32
SRD5A1 P18405 1/20 0.32
DAO P14920 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH2 P05091 1/20 0.32
GAA P10253 1/20 0.32
AKR1B1 P15121 1/20 0.32
HPGD P15428 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PPARG P37231 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARD Q03181 1/20 0.32

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
SCHEMBL5212456 0.74 SRD5A1 (0.40) KDM4EMAPTPLA2G2AHSD17B3SRD5A1
SCHEMBL25444158 0.70 DAO (0.36) KDM4EHSD17B3DAOALDH1A1HPGD
SCHEMBL6398012 0.66 SRD5A1 (0.49) KDM4EMAPTXDHSRD5A1GABRA1
SCHEMBL11876989 0.66 GABRA1 (0.42) KDM4EMAPTPLA2G2AXDHSRD5A1
SCHEMBL5207995 0.65 HSD17B3 (0.49) MAPTHSD17B3DAOPPARGPPARD
SCHEMBL28182980 0.65 IDH1 (0.39) KDM4EMAPTPLA2G2AXDHSRD5A1
SCHEMBL28070680 0.65 APAF1 (0.43) KDM4EMAPTPLA2G2AXDHSRD5A1
SCHEMBL9496073 0.65 ALOX15 (0.52) KDM4EDAOALDH1A1HPGDKMT2A
SCHEMBL11297267 0.64 GABRA1 (0.43) KDM4EMAPTXDHSRD5A1GABRA1
SCHEMBL9287879 0.64 BCL2 (0.47) XDHGABRA1GABRB2MEN1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040102-B1 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2007-01-24 EP disclosed
EP-1040102-A4 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2002-11-27 EP disclosed
EP-1194146-A4 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2002-07-31 EP disclosed
US-6399640-B1 ANTIDIABETIC AGENTS; ANTICHOLESTEROL AGENTS MERCK & CO., INC. 2002-06-04 US disclosed
EP-1194146-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2002-04-10 EP disclosed
US-6200998-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR AGONISTS; ANTICHOLESTEROL, ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. 2001-03-13 US disclosed
WO-2000078312-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 2000-12-28 WO disclosed
EP-1040102-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2000-10-04 EP disclosed
US-6008237-A POTENT AGONISTS OF PEROXIDSOME PROLIFERATOR ACTIVATED RECEPTOR; FOR CONTROLLING OR PREVENTING OF DIABETES, HYPERGLYCEMIA, HYPERLIPIDEMIA, HYPERCHOLESTEROLEMIA, ATHEROSCLEROSIS, OBESITY, VASCULAR RESTENOSIS MERCK & CO., INC. (US) 1999-12-28 US disclosed
WO-1999032465-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 1999-07-01 WO disclosed