SCHEMBL6600246

SCHEMBL6600246

O=C1CCCCCCCCCCCCCC2C=CC(C1)C2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.39
TRIM33 Q9UPN9 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 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
SCHEMBL7861857 0.75
SCHEMBL11330896 0.69 TRIM24 (0.50) TRIM24TRIM33ALDH1A1KMT2AMAPT
SCHEMBL1539236 0.68 TRIM24 (0.43) TRIM24TRIM33ALDH1A1KMT2AMAPT
SCHEMBL1539198 0.68 TRIM24 (0.43) TRIM24TRIM33ALDH1A1KMT2AMAPT
SCHEMBL1539169 0.68 TRIM24 (0.43) TRIM24TRIM33ALDH1A1KMT2AMAPT
SCHEMBL11330899 0.67 TRIM24 (0.48) TRIM24TRIM33ALDH1A1KMT2AMAPT
SCHEMBL2138928 0.67
SCHEMBL7774044 0.67
Cyclohexane SCHEMBL17939525 0.67
SCHEMBL24304032 0.66 KMT2A (0.54) TRIM24TRIM33ALDH1A1KMT2AMAPT

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-1461320-A4 ENANTIOSELECTIVE TRANSFORMATION OF ALFA,BETA-UNSATURATED KETONES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INST OF TECHN (US) 2004-12-08 EP disclosed
EP-1461320-A2 ENANTIOSELECTIVE TRANSFORMATION OF ALFA,BETA-UNSATURATED KETONES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2004-09-29 EP disclosed
WO-2003047740-A2 ENANTIOSELECTIVE TRANSFORMATION OF α,β-UNSATURATED KETONES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2003-06-12 WO disclosed