SCHEMBL11030552

SCHEMBL11030552

C=CCOC(=O)C(=O)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
ALDH1A1 P00352 7/20 0.44
GAA P10253 1/20 0.44
CASP1 P29466 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP3A4 P08684 1/20 0.34
FKBP1A P62942 1/20 0.34
TSHR P16473 2/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
KMT2A Q03164 3/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MEN1 O00255 2/20 0.32
EPHX1 P07099 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
SCHEMBL6871297 0.84 ALDH1A1 (0.43) CES2CES1ALDH1A1GAACASP1
SCHEMBL15443392 0.81 ALDH1A1 (0.46) CES2CES1ALDH1A1GAACASP1
SCHEMBL634058 0.81 ALDH1A1 (0.46) CES2CES1ALDH1A1GAACASP1
SCHEMBL15442983 0.81 ALDH1A1 (0.46) CES2CES1ALDH1A1GAACASP1
SCHEMBL15443027 0.81 ALDH1A1 (0.46) CES2CES1ALDH1A1GAACASP1
SCHEMBL6867071 0.81 ALDH1A1 (0.41) CES2CES1ALDH1A1GAACASP1
SCHEMBL6867072 0.81 ALDH1A1 (0.41) CES2CES1ALDH1A1GAACASP1
SCHEMBL6350238 0.79 ALDH1A1 (0.44) CES2CES1ALDH1A1GAACASP1
SCHEMBL6866892 0.77 ALDH1A1 (0.39) CES2CES1ALDH1A1GAACASP1
SCHEMBL6866888 0.77 ALDH1A1 (0.39) CES2CES1ALDH1A1GAACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396270-A Aqueous dispersion of microcapsules, and use thereof 高砂香料工业株式会社 2024-01-12 CN disclosed
CN-105431227-A Microcapsule TAKASAGO PERFUMERY CO LTD 2016-03-23 CN disclosed
CN-103189076-A Deodorant composition for sulfides TAKASAGO PERFUMERY CO LTD 2013-07-03 CN disclosed
US-4502985-A BLACKCURRANT NOTE DRAGOCO GERBERDING & CO. GMBH (DE) 1985-03-05 US disclosed