SCHEMBL8340304

SCHEMBL8340304

COc1cc(CCCC2NC(=O)SC2=O)cc(OC)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 2/20 0.43
IGF1R P08069 3/20 0.40
AKR1B1 P15121 1/20 0.40
ALOX5 P09917 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MET P08581 2/20 0.36
CISD1 Q9NZ45 1/20 0.36
LMNA P02545 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35

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
SCHEMBL8334676 0.86 MTNR1A (0.51) ALOX5TDP1METLMNAMTNR1A
SCHEMBL8336624 0.79 MEN1 (0.42) CISD1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL6583757 0.77 TNKS2 (0.43) TNKS2AKR1B1ALOX5METTUBB4A
SCHEMBL8340297 0.75 PTPN1 (0.48) TNKS2IGF1RAKR1B1ALOX5TDP1
SCHEMBL8888904 0.75 ESR1 (0.38) IGF1RLMNAALDH1A1
SCHEMBL8887977 0.71 ESR1 (0.40) IGF1RLMNAALDH1A1
SCHEMBL8890490 0.70 ESR1 (0.42) IGF1RLMNAALDH1A1
SCHEMBL6583749 0.69 PPARG (0.47) TNKS2IGF1RAKR1B1ALOX5MET
SCHEMBL6964722 0.69 POLB (0.41) LMNAPOLB
SCHEMBL16372690 0.68 AKR1B1 (0.71) TNKS2AKR1B1ALOX5METLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1997000249-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-03 WO disclosed
WO-1996005186-A1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-22 WO disclosed