SCHEMBL7940476

SCHEMBL7940476

CC1CCCCCCCCCCC(=O)CCC1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.52
TRIM33 Q9UPN9 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.48
CA1 P00915 3/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
ESR2 Q92731 2/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CYP2D6 P10635 1/20 0.32
EPHX1 P07099 2/20 0.32
CA9 Q16790 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
SCHEMBL12650057 0.93 TRIM24 (0.55) TRIM24TRIM33ALDH1A1KMT2ACA1
SCHEMBL10564328 0.84 TRIM24 (0.39) TRIM24TRIM33ALDH1A1KMT2ACA1
SCHEMBL7941523 0.84 KMT2A (0.46) TRIM24TRIM33ALDH1A1KMT2ACA1
SCHEMBL4416309 0.84 KMT2A (0.46) TRIM24TRIM33ALDH1A1KMT2ACA1
SCHEMBL4415563 0.81 KMT2A (0.54) TRIM24TRIM33ALDH1A1KMT2ACA1
SCHEMBL7934086 0.81 KMT2A (0.54) TRIM24TRIM33ALDH1A1KMT2ACA1
SCHEMBL2197936 0.81 KMT2A (0.54) TRIM24TRIM33ALDH1A1KMT2ACA1
SCHEMBL2691441 0.81 KMT2A (0.54) TRIM24TRIM33ALDH1A1KMT2ACA1
SCHEMBL6243018 0.80 KMT2A (0.58) TRIM24TRIM33ALDH1A1KMT2ACA1
SCHEMBL6243332 0.80 KMT2A (0.58) TRIM24TRIM33ALDH1A1KMT2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102736-A2 PREPARATION OF MACROCYCLIC KETONES UTILISING ADDITION OF KETONES TO ALKENES QUEST INTERNATIONAL B.V. (NL) 2001-05-30 EP disclosed
EP-0976714-A1 Addition of ketones to alkenes QUEST INTERNATIONAL B.V. (NL) 2000-02-02 EP disclosed
WO-2000001648-A2 PREPARATION OF MACROCYCLIC KETONES UTILISING ADDITION OF KETONES TO ALKENES QUEST INTERNATIONAL B.V. (NL) 2000-01-13 WO disclosed