SCHEMBL14359784

SCHEMBL14359784

CC1=CC(C)C(C)C(CC(=O)CC2CC(C)=CC(C)C2C)C1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.37
CTNNB1 P35222 1/20 0.37
APOBEC3A P31941 2/20 0.37
APOBEC3G Q9HC16 2/20 0.37

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
SCHEMBL2009007 0.78 ALDH1A1 (0.37) ALDH1A1LMNAPOLBAPOBEC3AAPOBEC3G
SCHEMBL20610513 0.73 ALDH1A1 (0.37) ALDH1A1LMNAPOLB
SCHEMBL5864292 0.70
SCHEMBL713031 0.69 ALDH1A1 (0.56) ALDH1A1LMNAPOLBALOX15CTNNB1
SCHEMBL5864457 0.67 ALDH1A1 (0.40) ALDH1A1LMNAPOLBALOX15CTNNB1
SCHEMBL454987 0.67 ALDH1A1 (0.40) ALDH1A1LMNAPOLBAPOBEC3AAPOBEC3G
SCHEMBL22832664 0.67 ALDH1A1 (0.34) ALDH1A1LMNAPOLBAPOBEC3AAPOBEC3G
SCHEMBL719071 0.66 ALDH1A1 (0.42) ALDH1A1LMNAPOLBAPOBEC3AAPOBEC3G
SCHEMBL6911638 0.66
SCHEMBL15129812 0.66 APOBEC3A (0.48) ALDH1A1LMNAPOLBALOX15CTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2725900-A1 ANTIMICROBIAL COMPOSITION Takasago International Corporation (JP) 2014-05-07 EP disclosed
WO-2013002421-A1 ANTIMICROBIAL COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-01-03 WO disclosed