SCHEMBL8769264

SCHEMBL8769264

COC=C(C(=O)OC)N(C)c1cccc(C#Cc2ccc(Cl)cc2Cl)n1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 2/20 0.34
GRM5 P41594 3/20 0.33
ACACB O00763 1/20 0.33
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
ATM Q13315 1/20 0.31
FSCN1 Q16658 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
POLB P06746 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
SCHEMBL8773748 0.90 CYP11B1 (0.37) FGFR4GRM5ACACBCYP11B1CYP11B2
SCHEMBL8768738 0.86 GRM5 (0.44) FGFR4GRM5ACACB
SCHEMBL8768296 0.80 ACACB (0.41) GRM5ACACBMEN1LMNAKMT2A
SCHEMBL8768678 0.78 ACACB (0.38) GRM5ACACBLMNAPTGDR2ALDH1A1
SCHEMBL8737258 0.75 CNR1 (0.45) MAPT
SCHEMBL9163369 0.75 CNR1 (0.45) MAPT
SCHEMBL9865578 0.75 CNR1 (0.45) MAPT
SCHEMBL9866708 0.72 CNR1 (0.40)
SCHEMBL9317149 0.72 CYP11B1 (0.34) GRM5ACACBCYP11B1CYP11B2MEN1
SCHEMBL9158184 0.71 CLK1 (0.38) FGFR4GRM5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579908-B1 Pyridyl derivatives, process for their preparation and their use as pesticides BAYER AG (DE) 1997-09-10 EP disclosed
US-5371095-A Fungicides, miticides BAYER AKTIENGESELLSCHAFT (DE) 1994-12-06 US disclosed
EP-0579908-A2 Pyridyl derivatives, process for their preparation and their use as pesticides BAYER AG (DE) 1994-01-26 EP disclosed