SCHEMBL18214501

SCHEMBL18214501

COc1ccccc1C(=O)COc1ccc(CC2SC(=O)N(C)C2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PPARG P37231 7/20 0.48
CYP2C9 P11712 3/20 0.48
MPC2 O95563 2/20 0.48
CYP2C8 P10632 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
FFAR1 O14842 2/20 0.39
DRD3 P35462 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK14 Q16539 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL19217851 0.89 SMN1; SMN2 (0.52) LMNASMN1; SMN2PPARGCYP2C9MPC2
SCHEMBL936346 0.83 PPARG (0.71) LMNASMN1; SMN2PPARGCYP2C9MPC2
SCHEMBL8282075 0.80 SMN1; SMN2 (0.54) LMNASMN1; SMN2PPARGCYP2C9MPC2
SCHEMBL15079925 0.75 SMN1; SMN2 (0.76) LMNASMN1; SMN2L3MBTL1ALDH1A1HTT
SCHEMBL2795338 0.74 L3MBTL1 (0.63) LMNASMN1; SMN2L3MBTL1ALDH1A1HTT
SCHEMBL19559661 0.72 PPARG (0.53) SMN1; SMN2PPARGCYP2C9MPC2CYP2C8
SCHEMBL19559657 0.72 PPARG (0.64) LMNASMN1; SMN2PPARGCYP2C9MPC2
SCHEMBL6321424 0.72 LMNA (0.71) LMNASMN1; SMN2L3MBTL1ALDH1A1HTT
SCHEMBL19559648 0.71 PPARG (0.67) LMNASMN1; SMN2PPARGCYP2C9MPC2
SCHEMBL12628141 0.70 PPARG (0.73) PPARGCYP2C9MPC2CYP2C8ALDH1A1

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
EP-2603498-B1 NOVEL SYNTHESIS FOR THIAZOLIDINEDIONE COMPOUNDS OCTETA THERAPEUTICS LLC (US) 2016-11-09 EP disclosed