SCHEMBL8997537

SCHEMBL8997537

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

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.59
KDR P35968 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
BACE1 P56817 4/20 0.48
NPFFR1 Q9GZQ6 2/20 0.44
NPFFR2 Q9Y5X5 2/20 0.44
PYGL P06737 3/20 0.43
PDK1 Q15118 1/20 0.42
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

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
SCHEMBL8918964 0.89 APP (0.56) APPKDRHDAC6HDAC1HDAC8
SCHEMBL5219928 0.84 HDAC1 (0.53) APPKDRHDAC6HDAC1HDAC8
SCHEMBL5219915 0.84 HDAC1 (0.53) APPKDRHDAC6HDAC1HDAC8
Hydrochloric Acid SCHEMBL6821851 0.82 HDAC1 (0.52) APPKDRHDAC6HDAC1HDAC8
SCHEMBL6821842 0.81 KDR (0.53) APPKDRHDAC6HDAC1HDAC8
SCHEMBL6821848 0.81 KDR (0.53) APPKDRHDAC6HDAC1HDAC8
SCHEMBL6821093 0.79 APP (0.54) APPKDRHDAC6HDAC1HDAC8
SCHEMBL6821096 0.79 APP (0.54) APPKDRHDAC6HDAC1HDAC8
SCHEMBL31528754 0.78 HDAC1 (0.58) KDRHDAC6HDAC1HDAC8BACE1
SCHEMBL9005492 0.77 HDAC1 (0.50) APPKDRHDAC6HDAC1HDAC8

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-5559139-A ANTIISCHEMIC AGENTS, MICROCIRCULATION BAYER AKTIENGESELLSCHAFT (DE) 1996-09-24 US disclosed