SCHEMBL6973455

SCHEMBL6973455

C=C(O)Cc1ccc(OC(C)C)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
THRB P10828 1/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 3/20 0.47
NPC1 O15118 1/20 0.47
CA2 P00918 1/20 0.46
CA5A P35218 1/20 0.46
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
GAA P10253 5/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
NFKB1 P19838 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
STAT3 P40763 1/20 0.43

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
SCHEMBL2392443 0.86 CA5A (0.62) LDHASMN1; SMN2THRBLMNAHTT
SCHEMBL10245332 0.83 POLB (0.57) LDHASMN1; SMN2THRBLMNAHTT
SCHEMBL7791117 0.81 SMN1; SMN2 (0.50) LDHASMN1; SMN2THRBLMNAHTT
SCHEMBL580037 0.81 CA2 (0.50) LDHASMN1; SMN2THRBLMNAHTT
SCHEMBL2392519 0.81 LDHA (0.49) LDHASMN1; SMN2THRBLMNAHTT
SCHEMBL897654 0.80 TSHR (0.51) LDHASMN1; SMN2THRBLMNAHTT
SCHEMBL14190879 0.80 CA2 (0.52) LDHASMN1; SMN2THRBLMNAHTT
SCHEMBL16104127 0.79 LDHA (0.47) LDHASMN1; SMN2THRBLMNAHTT
SCHEMBL13889426 0.79 GAA (0.45) LDHASMN1; SMN2LMNAHTTNPC1
SCHEMBL12775553 0.78 LDHA (0.51) LDHASMN1; SMN2THRBLMNAHTT

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 5 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
EP-0783496-A1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-07-16 EP disclosed
WO-1996005186-A1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-22 WO disclosed