SCHEMBL3138434

SCHEMBL3138434

O=C1CCCCCCCCC(C2CCCC2)O1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.37
CA9 Q16790 2/20 0.37
KMT2A Q03164 1/20 0.35
STS P08842 2/20 0.35
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
DAO P14920 1/20 0.31

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
SCHEMBL29019030 1.00 CA1 (0.37) CA1CA9KMT2ASTSCA2
SCHEMBL1329704 1.00 CA1 (0.37) CA1CA9KMT2ASTSCA2
SCHEMBL11424382 0.96 CA1 (0.37) CA1CA9KMT2ASTSMAPT
SCHEMBL8141255 0.94 TRIM24 (0.42) CA1CA9KMT2ASTSALDH1A1
SCHEMBL13304668 0.93 CA1 (0.38) CA1CA9STSTSHRALDH1A1
SCHEMBL7909099 0.89 CA1 (0.43) CA1CA9KMT2ASTSMAPT
SCHEMBL8755171 0.89 CA1 (0.43) CA1CA9STSTSHRALDH1A1
SCHEMBL113746 0.89 CA1 (0.43) CA1CA9STSTSHRALDH1A1
SCHEMBL8755163 0.89 CA1 (0.43) CA1CA9STSTSHRALDH1A1
SCHEMBL28730832 0.89 CA1 (0.43) CA1CA9KMT2ASTSMAPT

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
EP-1504744-B1 Aerosol cosmetic composition KAO CORP (JP) 2010-07-14 EP claimed