SCHEMBL28567332

SCHEMBL28567332

C=C(CC)CCCC.CCCCCCCCCCCCOCCCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.52
CES2 O00748 2/20 0.44
TSHR P16473 3/20 0.41
USP2 O75604 1/20 0.41
NAAA Q02083 1/20 0.41
CES1 P23141 1/20 0.40
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
LPAR3 Q9UBY5 4/20 0.36
LPAR2 Q9HBW0 3/20 0.36
LPAR1 Q92633 2/20 0.36

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
SCHEMBL20797245 0.87 HTT (0.56) HTTMEN1THRBKMT2AMAPT
SCHEMBL31417744 0.87 MEN1 (0.38) HTTMEN1THRBKMT2AMAPT
SCHEMBL31417735 0.84 TSHR (0.39) HTTMEN1THRBKMT2AMAPT
SCHEMBL19040804 0.83 TSHR (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL9015920 0.82 CES2 (0.48) MEN1THRBKMT2ACES2TSHR
SCHEMBL10995199 0.82 CES2 (0.48) MEN1THRBKMT2ACES2TSHR
SCHEMBL6552083 0.82 CES2 (0.48) MEN1THRBKMT2ACES2TSHR
SCHEMBL11065619 0.82 CES2 (0.48) MEN1THRBKMT2ACES2TSHR
SCHEMBL9015944 0.82 CES2 (0.48) MEN1THRBKMT2ACES2TSHR
SCHEMBL9015912 0.82 CES2 (0.48) MEN1THRBKMT2ACES2TSHR

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
CN-112752744-A Alkyl enol ether pro-fragrances 弗门尼舍有限公司 2021-05-04 CN claimed
CN-112752744-A Alkyl enol ether pro-fragrances 弗门尼舍有限公司 2021-05-04 CN disclosed