SCHEMBL29286192

SCHEMBL29286192

CCOC(=O)C1(CC)C=CC=CN1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
OPRM1 P35372 3/20 0.32
OPRD1 P41143 2/20 0.31
OPRK1 P41145 2/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
BRD4 O60885 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
SCHEMBL28759104 0.87 CYP1A2 (0.33) POLBOPRM1ALDH1A1LMNA
SCHEMBL28908706 0.79 POLB (0.34) POLBOPRM1ALDH1A1LMNAHSD17B10
SCHEMBL30711716 0.77 POLB (0.33) POLBOPRM1ALDH1A1LMNAHSD17B10
SCHEMBL28807865 0.77 POLB (0.33) POLBOPRM1ALDH1A1LMNAHSD17B10
SCHEMBL8407116 0.77 POLB (0.33) POLBOPRM1ALDH1A1LMNAHSD17B10
SCHEMBL17476586 0.67 MGAM (0.35) ALDH1A1HSD17B10
SCHEMBL9416759 0.64 ALDH1A1 (0.46) POLBOPRM1OPRD1OPRK1ALDH1A1
SCHEMBL20573161 0.63 CYP4F2 (0.39)
SCHEMBL17862069 0.62 ALDH1A1 (0.39) POLBOPRM1ALDH1A1LMNAHSD17B10
SCHEMBL5489652 0.61 OPRM1 (0.35) POLBOPRM1OPRD1OPRK1BRD4

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-118345382-A Preparation process of 2-acetyl pyridine 枣庄九星生物科技有限公司 2024-07-16 CN disclosed