SCHEMBL4748771

SCHEMBL4748771

CC(C)=CCCC(C)(O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.52
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
TET2 Q6N021 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
POLB P06746 1/20 0.36
ACLY P53396 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
CHRNA7 P36544 1/20 0.36
STAT3 P40763 1/20 0.36
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
TRPA1 O75762 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL26691671 0.82 ALOX15 (0.57) ALOX15TET2ALDH1A1TSHRKMT2A
SCHEMBL28123430 0.81 ALOX15 (0.47) ALOX15KDM4EATMALDH1A1POLB
SCHEMBL6347709 0.81 ALOX15 (0.47) ALOX15KDM4EATMALDH1A1POLB
SCHEMBL1301267 0.81 ALOX15 (0.47) ALOX15KDM4EATMALDH1A1POLB
SCHEMBL6436094 0.77 HMGCR (0.54) ALOX15KDM4EATMALDH1A1TSHR
SCHEMBL583687 0.75 ALOX15 (0.60) ALOX15KDM4EATMALDH1A1TSHR
SCHEMBL5554363 0.75 ALDH1A1 (0.52) ALOX15KDM4EATMALDH1A1TSHR
SCHEMBL1733822 0.75 ALDH1A1 (0.52) ALOX15KDM4EATMALDH1A1TSHR
Linalool SCHEMBL1471881 0.75 ALOX15 (0.85) ALOX15KDM4EATMTSHRFNTA
SCHEMBL10602648 0.75 ALOX15 (0.55) ALOX15KDM4EATMALDH1A1TSHR

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
WO-2008113190-A1 METHOD FOR THE PRODUCTION OF R-HYDROXYCARBOXYLIC ACIDS EMPA EIDGENÖSSISCHE MATERIALPRÜFUNGS- UND FORSCHUNGSANSTALT (CH) 2008-09-25 WO claimed