SCHEMBL17633992

SCHEMBL17633992

C=CCOC(=O)COCCC(C)C.CCCCCOC(=O)CO

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.71
TSHR P16473 4/20 0.46
NAAA Q02083 1/20 0.38
PLA2G2C Q5R387 1/20 0.34
CES2 O00748 1/20 0.34
HPGD P15428 1/20 0.34
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FAAH O00519 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL273059 0.84 TDP1 (1.00) TDP1TSHRHPGDNPSR1FAAH
Glycolic Acid SCHEMBL13280110 0.83 TDP1 (0.85) TDP1TSHRHPGDFAAHKDM4E
SCHEMBL21436550 0.81 TDP1 (0.94) TDP1TSHRHPGDNPSR1FAAH
SCHEMBL4260215 0.81 TSHR (0.62) TDP1TSHRNAAAPLA2G2CCES2
SCHEMBL27579881 0.80 TDP1 (0.79) TDP1TSHRPLA2G2CCES2HPGD
SCHEMBL31352614 0.78 TDP1 (0.62) TDP1TSHRPLA2G2CKDM4EALDH1A1
SCHEMBL10583894 0.77 TSHR (0.56) TDP1TSHRNAAACES2HPGD
SCHEMBL8946360 0.77 TDP1 (0.63) TDP1TSHRNAAAPLA2G2CCES2
SCHEMBL30367242 0.77 TDP1 (0.60) TDP1TSHRPLA2G2C
SCHEMBL27470862 0.75 TDP1 (0.64) TDP1NAAAKDM4EALDH1A1HSD17B10

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
EP-3197507-A1 MALODOR REDUCTION COMPOSITIONS The Procter and Gamble Company (US) 2017-08-02 EP disclosed
WO-2016049389-A1 MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO disclosed