SCHEMBL28630652

SCHEMBL28630652

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.33
CTSK P43235 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.31
LMNA P02545 2/20 0.30
PTPN1 P18031 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
SCHEMBL8156416 0.81 MEN1 (0.45) MEN1CYP3A4ALOX15KMT2ATDP1
SCHEMBL28851638 0.80 CYP3A4 (0.44) MEN1CYP3A4ALOX15KMT2AALDH1A1
SCHEMBL310250 0.76 ALOX15 (0.45) CYP3A4ALOX15ALDH1A1TSHRLMNA
SCHEMBL28120876 0.75 MEN1 (0.52) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL5689448 0.74 ALDH1A1 (0.38) CYP3A4ALDH1A1TSHRLMNA
SCHEMBL27681579 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL28154180 0.73 MEN1 (0.44) MEN1CYP3A4ALOX15KMT2ATSHR
SCHEMBL16465243 0.73 CYP3A4 (0.41) MEN1CYP3A4ALOX15KMT2AALDH1A1
SCHEMBL13896293 0.72 MEN1 (0.48) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL23244046 0.72 MEN1 (0.46) MEN1CYP3A4ALOX15KMT2ATDP1

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
CN-113194913-A Fragrance gel 莱雅公司 2021-07-30 CN disclosed