SCHEMBL8535754

SCHEMBL8535754

COC(=O)C(F)=CC1(c2ccc(F)cc2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC4 P56524 2/20 0.36
HCAR3 P49019 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 1/20 0.34
CNR1 P21554 2/20 0.34
BACE1 P56817 2/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALPL P05186 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL8535752 1.00 HDAC3 (0.37) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL8534055 0.85 PDE2A (0.43) HDAC3HDAC1HDAC2HDAC6GAA
SCHEMBL8534579 0.85 PDE2A (0.43) HDAC3HDAC1HDAC2HDAC6GAA
SCHEMBL8529941 0.80 HSD11B1 (0.35) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8529945 0.80 HSD11B1 (0.35) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8532643 0.75 HCAR3 (0.34) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL8532641 0.75 HCAR3 (0.34) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL8532427 0.73 BACE1 (0.34) HDAC3HDAC1HDAC2HDAC6HCAR3
SCHEMBL8532426 0.73 BACE1 (0.34) HDAC3HDAC1HDAC2HDAC6HCAR3
SCHEMBL30461856 0.71 CES2 (0.39) HDAC3HDAC1HDAC2HDAC6HDAC4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763700-A INSECTICIDES BRITISH TECHNOLOGY GROUP LIMITED (GB) 1998-06-09 US disclosed
EP-0660815-B1 PESTICIDAL FLUOROOLEFINS BRITISH TECH GROUP (GB) 1997-04-16 EP disclosed
EP-0660815-A1 PESTICIDAL FLUOROOLEFINS. BRITISH TECNOLOGY GROUP PLC (GB) 1995-07-05 EP disclosed
CN-1087895-A Pesticidal fluoroolefins BRITISH TECH GROUP (GB) 1994-06-15 CN disclosed
WO-1994006741-A1 PESTICIDAL FLUOROOLEFINS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1994-03-31 WO disclosed