SCHEMBL9366459

SCHEMBL9366459

CCCCCCCC(=O)C(C)c1c[nH]nn1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
FAAH O00519 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.36

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
SCHEMBL10961912 1.00 CES2 (0.41) CES2LMNAMEN1FAAHMAPK1
SCHEMBL10894943 0.72 FAAH (0.46) CES2MEN1FAAHKMT2AMAPT
SCHEMBL10701104 0.70 DGKA (0.43) LMNAMAPK1KMT2AMAPT
SCHEMBL5088152 0.69 CES2 (0.46) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL7641669 0.67 ASAH1 (0.56) CES2
SCHEMBL7596532 0.66 CNR1 (0.48) FAAH
SCHEMBL23950131 0.65 CES2 (0.64) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL23950236 0.65 CES2 (0.64) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL8773299 0.65 CES2 (0.64) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL23950441 0.65 CES2 (0.64) CES2MEN1FAAHMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0329015-B1 Substituted triazoles BAYER AG (DE) 1994-03-30 EP disclosed
US-5266586-A Fungicidal substituted triazoles BAYER AKTIENGESELLSCHAFT (DE) 1993-11-30 US disclosed
US-5187178-A Effective in lower concentrations BAYER AKTIENGESELLSCHAFT (DE) 1993-02-16 US disclosed
US-5049573-A Fungicidal substituted triazoles BAYER AKTIENGESELLSCHAFT (DE) 1991-09-17 US disclosed
US-4962118-A ACTIVE AGAINST ASPERGILLUS, CHAETOMIUM, PENICILLUM; WHEAT, BARLEY BAYER AKTIENGESELLSCHAFT (DE) 1990-10-09 US disclosed
EP-0329015-A2 Substituted triazoles BAYER AG (DE) 1989-08-23 EP disclosed