SCHEMBL11876232

SCHEMBL11876232

COC(=O)C(CC(C)C)n1cccc1C=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
ALDH1A1 P00352 3/20 0.35
TAS1R3 Q7RTX0 5/20 0.35
TAS1R1 Q7RTX1 5/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.35
MCL1 Q07820 1/20 0.34

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
SCHEMBL15331853 0.84 BCL2 (0.40) TRIM24TRIM33KMT2AMCL1
SCHEMBL11876578 0.84 BCL2 (0.40) TRIM24TRIM33KMT2AMCL1
SCHEMBL25656374 0.77 NPSR1 (0.37) ALDH1A1MCL1
SCHEMBL24929758 0.77 ELANE (0.38) ALDH1A1TAS1R3TAS1R1
SCHEMBL25728203 0.77 NPSR1 (0.37) ALDH1A1MCL1
SCHEMBL25656378 0.71 OPRK1 (0.43) ALDH1A1NOS3NOS1NOS2KMT2A
SCHEMBL25728204 0.71 OPRK1 (0.43) ALDH1A1NOS3NOS1NOS2KMT2A
SCHEMBL3996663 0.71 TRIM24 (0.47) TRIM24TRIM33ALDH1A1KMT2AGAA
SCHEMBL25118202 0.70 ELANE (0.49) ALDH1A1
SCHEMBL24929755 0.70 ALDH1A1 (0.34) ALDH1A1

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
US-3996940-A Tobacco product R. J. REYNOLDS TOBACCO COMPANY (US) 1976-12-14 US disclosed