SCHEMBL5027372

SCHEMBL5027372

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.45
KDM1A O60341 1/20 0.40
CA1 P00915 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
PTGS1 P23219 1/20 0.37
BLM P54132 1/20 0.36
LMNA P02545 2/20 0.35
KDM4C Q9H3R0 2/20 0.33
KDM4A O75164 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL28805255 0.92 KDM4C (0.42) PTPN1CA1PTGS1LMNAKDM4C
SCHEMBL1740945 0.89 ALDH1A1 (0.46) PTPN1KDM1ACA1ALDH1A1TSHR
SCHEMBL6897089 0.86 CA1 (0.46) PTPN1KDM1ACA1ALDH1A1TSHR
SCHEMBL1740608 0.82 ALDH1A1 (0.44) PTPN1CA1ALDH1A1TSHRBLM
SCHEMBL4759428 0.81 TSHR (0.52) ALDH1A1TSHRPTGS1LMNA
SCHEMBL614868 0.81 TSHR (0.50) ALDH1A1TSHRPTGS1LMNA
SCHEMBL29057715 0.81 CA1 (0.37) PTPN1KDM1ACA1ALDH1A1TSHR
SCHEMBL12484977 0.80 KDM4C (0.46) CA1ALDH1A1TSHRBLMLMNA
SCHEMBL31261410 0.80 KDM4C (0.46) CA1ALDH1A1TSHRBLMLMNA
SCHEMBL31261414 0.80 KDM4C (0.46) CA1ALDH1A1TSHRBLMLMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108076626-A Musk compositions and methods of use thereof 高砂香料工业株式会社 2018-05-25 CN disclosed
CN-107864620-A Moschus composition and its application method 高砂香料工业株式会社 2018-03-30 CN disclosed
CN-107849490-A Hygienic perfume composition 高砂香料工业株式会社 2018-03-27 CN disclosed
EP-1951244-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
WO-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO disclosed