SCHEMBL9064993

SCHEMBL9064993

NC(C(=O)O)C(F)(F)C(O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
MAPK1 P28482 1/20 0.45
CYP2D6 P10635 1/20 0.42
SRC P12931 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
AOC3 Q16853 1/20 0.41
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL13502435 0.84 AKR1C3 (0.40) LMNAALDH1A1
SCHEMBL13502434 0.84 AKR1C3 (0.40) LMNAALDH1A1
SCHEMBL13502438 0.84 AKR1C3 (0.40) LMNAALDH1A1
SCHEMBL5865837 0.80 AOC3 (0.47) LMNAMAPK1CES2CES1AOC3
SCHEMBL31322230 0.73 LMNA (0.44) LMNAMAPK1CYP2D6SRCCES2
SCHEMBL5334248 0.72 AOC3 (0.41) LMNAMAPK1CES2CES1AOC3
SCHEMBL15114536 0.72 LMNA (0.47) LMNAMAPK1CYP2D6SRCCES2
SCHEMBL4394579 0.71 KIF11 (0.46) CYP2D6ALDH1A1
SCHEMBL4403169 0.71 KIF11 (0.46) CYP2D6ALDH1A1
SCHEMBL44838 0.71 AOC3 (0.47) LMNAMAPK1CES2CES1AOC3

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
US-5516936-A TREATMENT OF NEUROLOGICAL DISORDERS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1996-05-14 US disclosed
EP-0581907-A4 1994-04-06 EP disclosed
US-5254725-A Inhibitors of kynureninase UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1993-10-19 US disclosed