SCHEMBL8097587

SCHEMBL8097587

CC(C)(C)NC(=O)OC1SC(c2cccc(Oc3ccccc3)c2)NC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
PPARG P37231 3/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
HTT P42858 3/20 0.37
KCNH2 Q12809 1/20 0.36
MMP13 P45452 1/20 0.36
LMNA P02545 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE1C Q14123 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.35
ERCC5 P28715 1/20 0.34
FEN1 P39748 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL8096918 0.84 ALDH1A1 (0.38) ALDH1A1HTTLMNASMN1; SMN2MAPT
SCHEMBL8099152 0.84 ALDH1A1 (0.38) ALDH1A1HTTLMNAMAPTHPGD
SCHEMBL8098673 0.84 ALDH1A1 (0.54) ALDH1A1GAAHTTKCNH2SMN1; SMN2
SCHEMBL8098463 0.84 ALDH1A1 (0.38) ALDH1A1MAPTHPGDTSHR
SCHEMBL8097385 0.84 ALDH1A1 (0.38) ALDH1A1MAPTHPGDTSHR
SCHEMBL8097010 0.83 HPGD (0.37) ALDH1A1LMNAMAPTHPGDTSHR
SCHEMBL8099202 0.81 L3MBTL1 (0.38) ALDH1A1GAALMNAMAPTHPGD
SCHEMBL8105972 0.81 ALDH1A1 (0.36) ALDH1A1MAPTHPGDTSHR
SCHEMBL8099510 0.81 ALDH1A1 (0.36) ALDH1A1MAPTHPGDTSHRCSNK1E
SCHEMBL8099480 0.77 ALDH1A1 (0.33) ALDH1A1GAALMNAMAPTHPGD

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-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed