SCHEMBL8341871

SCHEMBL8341871

COc1cc(CCCC2SC(=O)NC2=O)ccc1OC(C)C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.53
CA2 P00918 1/20 0.44
ALDH1A1 P00352 7/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
THRB P10828 1/20 0.41
GAA P10253 3/20 0.40
PPARG P37231 2/20 0.38
LYPLA1 O75608 1/20 0.38
LYPLA2 O95372 1/20 0.38
ABHD16A O95870 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL6968318 0.84 TAAR1 (0.52) PTPN1CA2ALDH1A1SMN1; SMN2GAA
SCHEMBL6964713 0.81 GLA (0.45) CA2ALDH1A1THRBPPARGKDM4E
SCHEMBL8340297 0.80 PTPN1 (0.48) PTPN1CA2ALDH1A1PPARGNPSR1
SCHEMBL6960171 0.78 GLA (0.44) CA2ALDH1A1THRBPPARGKDM4E
SCHEMBL8337064 0.78 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2THRBGAALYPLA1
SCHEMBL6583573 0.78 PPARG (0.54) CA2ALDH1A1SMN1; SMN2THRBGAA
SCHEMBL6971454 0.77 GLA (0.43) CA2ALDH1A1THRBPPARGKDM4E
SCHEMBL8182679 0.76 PTPN1 (0.79) PTPN1CA2ALDH1A1PPARGKDM4E
SCHEMBL6583581 0.76 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2THRBGAAPPARG
SCHEMBL8340601 0.74 PTPN1 (0.47) PTPN1CA2HTTFFAR1

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 1 patent. 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