SCHEMBL9412552

SCHEMBL9412552

CCOC(=O)CCCCn1c(=O)cc(N)n(C)c1=O

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 14/20 0.53
▸ HPGD P15428 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ EP300 Q09472 1/20 0.41

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
SCHEMBL4251804 0.83 TNF (0.56) TNF
SCHEMBL9412588 0.77 TNF (0.57) TNFHPGDALDH1A1
SCHEMBL1945518 0.77 HPGD (0.55) HPGDALDH1A1
SCHEMBL4252996 0.75 KAT2B (0.45) TNFALDH1A1
SCHEMBL7036408 0.75 TNF (0.47) TNFEP300
SCHEMBL9412660 0.73 TNF (0.53) TNFHPGDALDH1A1
SCHEMBL1546589 0.73 HPGD (0.58) HPGDALDH1A1
SCHEMBL11210331 0.73 TNF (0.58) TNFALDH1A1
SCHEMBL7040835 0.71 TNF (0.50) TNF
SCHEMBL8104091 0.71 FAAH (0.62) TNFALDH1A1

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
EP-0611660-A2 Condensed 5-membered heterocycles, process for their preparation and medicines containing these compounds Dr. Karl Thomae GmbH (DE) 1994-08-24 — — EP disclosed
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