SCHEMBL29645274

SCHEMBL29645274

CC(=O)OC(=O)CC(C)CCC=C(C)C

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.57
ALDH1A1 P00352 3/20 0.48
GGPS1 O95749 2/20 0.43
FDPS P14324 2/20 0.43
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
GLA P06280 1/20 0.40
NFE2L2 Q16236 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL14142965 0.84 ALOX15 (0.56) ALOX15ALDH1A1GGPS1FDPSUSP2
SCHEMBL25317905 0.84 ALOX15 (0.54) ALOX15ALDH1A1GGPS1FDPSUSP2
SCHEMBL1617378 0.84 ALOX15 (0.54) ALOX15ALDH1A1GGPS1FDPSUSP2
SCHEMBL25689380 0.82 ALOX15 (0.53) ALOX15ALDH1A1GGPS1FDPSUSP2
SCHEMBL23707013 0.82 ALOX15 (0.62) ALOX15ALDH1A1GGPS1FDPSUSP2
SCHEMBL18736150 0.81 ALOX15 (0.56) ALOX15ALDH1A1GGPS1FDPSUSP2
SCHEMBL18735985 0.81 ALOX15 (0.56) ALOX15ALDH1A1GGPS1FDPSUSP2
SCHEMBL23706999 0.81 ALOX15 (0.52) ALOX15ALDH1A1GGPS1FDPSUSP2
SCHEMBL20734974 0.81 ALOX15 (0.56) ALOX15ALDH1A1GGPS1FDPSUSP2
SCHEMBL7425253 0.81 ALOX15 (0.51) ALOX15ALDH1A1GGPS1FDPSUSP2

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-20220136016-A1 MODIFIED CHLORAMPHENICOL ACETYLTRANSFERASE AND BIOSYNTHESIS METHOD OF MAKING ESTERS USING SAME UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2022-05-05 US disclosed