SCHEMBL30453044

SCHEMBL30453044

CCCCCCc1ccc2c(ccn2C(=O)C(C)(C)C)c1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 2/20 0.65
S1PR1 P21453 1/20 0.61
PLA2G4A P47712 8/20 0.45
FAAH O00519 1/20 0.44
KAT8 Q9H7Z6 2/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL28678794 1.00 OXER1 (0.65) OXER1S1PR1PLA2G4AFAAHKAT8
SCHEMBL28932565 1.00 OXER1 (0.65) OXER1S1PR1PLA2G4AFAAHKAT8
SCHEMBL286901 0.79 OXER1 (1.00) OXER1S1PR1
SCHEMBL29202569 0.76 OXER1 (0.39) OXER1S1PR1
SCHEMBL30885549 0.76 OXER1 (0.39) OXER1S1PR1
SCHEMBL29202571 0.76 OXER1 (0.39) OXER1S1PR1
SCHEMBL5746834 0.74 NR1H2 (0.50) OXER1S1PR1
SCHEMBL13444408 0.74 OXER1 (0.49) OXER1S1PR1PLA2G4AKAT8
SCHEMBL31517159 0.73 TFPI2 (0.48) OXER1
SCHEMBL28400587 0.73 TFPI2 (0.48) OXER1

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
CN-113912529-B Method for synthesizing indole compounds by catalyzing N-aryl amide compounds and vinylene carbonate with ruthenium 成都大学 2023-07-25 CN disclosed