SCHEMBL8938095

SCHEMBL8938095

O=C(O)C(OCCNCC(O)c1cccc(C(F)(F)F)c1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.49
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
FAAH O00519 1/20 0.45
PPARG P37231 3/20 0.44
BCHE P06276 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
ALOX15 P16050 1/20 0.42

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
Hydrochloric Acid SCHEMBL8938094 0.90 PNMT (0.49) PNMTALDH1A1KDM4EGAAFAAH
SCHEMBL8938122 0.83 ALDH1A1 (0.47) ALDH1A1KDM4EGAAFAAHALOX15
SCHEMBL8938141 0.83 ADRB3 (0.54)
SCHEMBL8938101 0.81 ALOX15 (0.50) PNMTALDH1A1KDM4EGAABCHE
SCHEMBL8938097 0.79 ALOX15 (0.46) PNMTALDH1A1KDM4EGAABCHE
Hydrochloric Acid SCHEMBL8938103 0.79 ALOX15 (0.48) PNMTALDH1A1KDM4EGAABCHE
SCHEMBL9186753 0.78 KDM4E (0.57) ALDH1A1KDM4EGAAFAAHALOX15
SCHEMBL9186745 0.78 KDM4E (0.57) ALDH1A1KDM4EGAAFAAHALOX15
SCHEMBL9186749 0.78 KDM4E (0.57) ALDH1A1KDM4EGAAFAAHALOX15
SCHEMBL7341580 0.77 PNMT (0.51) PNMTALDH1A1GAAPPARGMEN1

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-5502078-A Chemical compounds ZENECA LIMITED (GB) 1996-03-26 US disclosed