SCHEMBL6967428

SCHEMBL6967428

COc1cc(CCCC2NC(=O)SC2=O)ccc1OCc1csc(-c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
KCNH2 Q12809 1/20 0.42
SCN9A Q15858 1/20 0.42
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
HCRTR1 O43613 4/20 0.39
HCRTR2 O43614 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARA Q07869 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
F2RL3 Q96RI0 1/20 0.37

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
SCHEMBL8339459 0.88 HDAC1 (0.43) ALDH1A1MAPTMTNR1AMTNR1BMEN1
SCHEMBL8337135 0.86 MEN1 (0.39) ALDH1A1KDM4EHPGDMAPTMTNR1A
SCHEMBL6584217 0.86 KDM4E (0.43) ALDH1A1KDM4EHPGDMAPTKCNH2
SCHEMBL6969226 0.85 FFAR1 (0.41) ALDH1A1KDM4EHPGDMAPTMTNR1A
SCHEMBL8341338 0.84 PPARG (0.41) ALDH1A1KDM4EMAPTMTNR1AMTNR1B
SCHEMBL6967418 0.83 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMAPTKCNH2
SCHEMBL4727181 0.81 PPARG (0.54) MAPTMTNR1AMTNR1BKMT2ASMN1; SMN2
SCHEMBL8340545 0.81 MTNR1A (0.41) ALDH1A1KDM4EMAPTMTNR1AMTNR1B
SCHEMBL6584211 0.81 PPARG (0.57) ALDH1A1KDM4EHPGDMAPTKCNH2
SCHEMBL6975089 0.79 PPARG (0.39) ALDH1A1HPGDMAPTMTNR1AMTNR1B

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
EP-0783496-B9 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-09-03 EP disclosed
EP-0783496-B1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-26 EP disclosed
US-5965589-A AN ACTIVE MATERIAL HAVING HYPOGLYCEMIC ACTIVITY AND BLOOD LIPID LOWERING ACTIVITY, FOR USE AS AN ANTIDIABETIC AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-12 US disclosed