SCHEMBL8918964

SCHEMBL8918964

O=C(O)CC(=O)C=Cc1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.56
BACE1 P56817 6/20 0.51
PYGL P06737 7/20 0.43
KDR P35968 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
MAOB P27338 1/20 0.41
PTGS2 P35354 1/20 0.41
GLO1 Q04760 1/20 0.41
CAMK2A Q9UQM7 1/20 0.41
NFE2L2 Q16236 1/20 0.41
PTPN11 Q06124 1/20 0.40
NR0B2 Q15466 1/20 0.40

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
SCHEMBL8997537 0.89 APP (0.59) APPBACE1PYGLKDRHDAC1
SCHEMBL798603 0.76 TTR (0.57) APPMAOBPTGS2
SCHEMBL798602 0.76 TTR (0.57) APPMAOBPTGS2
SCHEMBL10747246 0.74 MEN1 (0.60) MAOB
SCHEMBL3223964 0.72 BACE1 (0.88) APPBACE1PYGLHDAC1HDAC8
SCHEMBL3223975 0.72 BACE1 (0.88) APPBACE1PYGLHDAC1HDAC8
SCHEMBL585531 0.72 APP (0.60) APP
SCHEMBL585530 0.72 APP (0.60) APP
SCHEMBL5219928 0.72 HDAC1 (0.53) APPBACE1KDRHDAC1HDAC8
SCHEMBL11684209 0.72 CYP1A2 (0.65) MAOB

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-5670525-A Substituted 4-phenyl-6-amino-nicotinic acid compounds useful in the treatment of CNS disorders BAYER AKTIENGESELLSCHAFT (DE) 1997-09-23 US disclosed