SCHEMBL8055824

SCHEMBL8055824

CC(C(=O)O)=C(c1cccc(C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.57
SRD5A2 P31213 1/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 2/20 0.48
MAOB P27338 1/20 0.48
KCNK3 O14649 1/20 0.48
ACHE P22303 1/20 0.47
P2RX1 P51575 1/20 0.47
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL8055819 1.00 CES2 (0.57) CES2SRD5A2KMT2AMEN1LMNA
SCHEMBL8055817 1.00 CES2 (0.57) CES2SRD5A2KMT2AMEN1LMNA
SCHEMBL8055516 0.85 CES2 (0.62) CES2SRD5A2KMT2AMEN1LMNA
SCHEMBL8055512 0.85 CES2 (0.62) CES2SRD5A2KMT2AMEN1LMNA
SCHEMBL8055509 0.85 CES2 (0.62) CES2SRD5A2KMT2AMEN1LMNA
SCHEMBL562773 0.81 CES1 (0.52) CES2KMT2AMEN1ALDH1A1POLB
SCHEMBL2505658 0.79 CES2 (0.54) CES2KMT2AMEN1LMNANPSR1
SCHEMBL2505653 0.79 CES2 (0.54) CES2KMT2AMEN1LMNANPSR1
SCHEMBL39834 0.78 CES2 (0.71) CES2SRD5A2KMT2AMEN1LMNA
SCHEMBL30093723 0.78 CES2 (0.71) CES2SRD5A2KMT2AMEN1LMNA

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-6025349-A ANTIARRHYTHMIC PROPERTIES, HOECHST AKTIENGESELLSCHAFT (DE) 2000-02-15 US disclosed