SCHEMBL8774795

SCHEMBL8774795

CCCC1CCC(C2CCC(C(=O)Oc3cc(F)c(F)nc3F)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA2 P00918 1/20 0.33
HTT P42858 1/20 0.33
SCN9A Q15858 2/20 0.33
TLR4 O00206 2/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 2/20 0.32
NPC1 O15118 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPT P10636 3/20 0.31
FFAR4 Q5NUL3 1/20 0.31
GRK6 P43250 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
GRM1 Q13255 1/20 0.30

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
SCHEMBL8774786 1.00 KMT2A (0.33) KMT2AMEN1RAB9AL3MBTL1CA2
SCHEMBL8774779 1.00 KMT2A (0.33) KMT2AMEN1RAB9AL3MBTL1CA2
SCHEMBL8774026 0.96 KMT2A (0.35) KMT2AMEN1RAB9AL3MBTL1CA2
SCHEMBL8774033 0.96 KMT2A (0.35) KMT2AMEN1RAB9AL3MBTL1CA2
SCHEMBL8775020 0.93 MAPT (0.37) KMT2AMEN1RAB9AL3MBTL1CA2
SCHEMBL8775011 0.93 MAPT (0.37) KMT2AMEN1RAB9AL3MBTL1CA2
SCHEMBL8775007 0.93 MAPT (0.37) KMT2AMEN1RAB9AL3MBTL1CA2
SCHEMBL8775027 0.92 PKM (0.36) KMT2AMEN1RAB9AL3MBTL1CA2
SCHEMBL8775023 0.92 PKM (0.36) KMT2AMEN1RAB9AL3MBTL1CA2
SCHEMBL8775022 0.92 PKM (0.36) KMT2AMEN1RAB9AL3MBTL1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed