SCHEMBL9302626

SCHEMBL9302626

CC(C)OC(=O)NCCOc1ccc(Oc2cc(F)cc(F)c2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.49
PPARD Q03181 11/20 0.49
PPARG P37231 5/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL9157535 0.91 PPARA (0.47) PPARAPPARDPPARGLMNA
SCHEMBL9157637 0.91 PPARA (0.47) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL9157443 0.90 PPARA (0.46) PPARAPPARDPPARGHTTLMNA
SCHEMBL9163413 0.90 PPARA (0.46) PPARAPPARDPPARGHTTLMNA
SCHEMBL9280073 0.90 PPARA (0.46) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL9160091 0.89 PPARA (0.49) PPARAPPARDPPARGLMNAMEN1
SCHEMBL9160032 0.88 PPARA (0.44) PPARAPPARDPPARGSMN1; SMN2MEN1
SCHEMBL9163366 0.88 PPARA (0.45) PPARAPPARDPPARGSMN1; SMN2MEN1
SCHEMBL9281638 0.88 PPARA (0.48) PPARAPPARDPPARGHTTLMNA
SCHEMBL9158377 0.87 SMN1; SMN2 (0.50) PPARAPPARDPPARGHTTLMNA

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-5346920-A Insecticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-09-13 US claimed