SCHEMBL28813853

SCHEMBL28813853

C=C(C)C(=O)OC(C(=O)OC(C)(C)C)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
NPR3 P17342 1/20 0.34
EPHX1 P07099 3/20 0.34
ALDH1A1 P00352 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
TSHR P16473 1/20 0.31
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HPGD P15428 1/20 0.30
BTK Q06187 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
SCHEMBL21122752 0.80 EPHX1 (0.31) EPHX1ALDH1A1NPSR1
SCHEMBL23501493 0.75 EPHX1 (0.33) EPHX1ALDH1A1NPSR1TSHR
SCHEMBL29117598 0.74 TSHR (0.38) EPHX1ALDH1A1NPSR1CTSKTSHR
SCHEMBL5680226 0.74 TSHR (0.38) EPHX1ALDH1A1NPSR1CTSKTSHR
SCHEMBL8407107 0.74 ALDH1A1 (0.37) EPHX1ALDH1A1NPSR1TSHR
SCHEMBL5267768 0.74 EPHX1 (0.44) GAANPR3EPHX1ALDH1A1HDAC4
SCHEMBL23494218 0.72 TSHR (0.39) EPHX1ALDH1A1NPSR1CTSKTSHR
SCHEMBL28007960 0.72 ALDH1A1 (0.38) EPHX1ALDH1A1NPSR1TSHR
SCHEMBL27338949 0.72 GAA (0.38) GAANPR3EPHX1ALDH1A1NPSR1
SCHEMBL17300332 0.72 ALDH1A1 (0.32) ALDH1A1TSHR

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-104487052-B Hydrogel flavor capsule, preparation and preparation method thereof 国际香料和香精公司 2018-01-02 CN disclosed
CN-107229185-A The manufacture method of energy sensitivities composition, solidfied material and solidfied material 东京应化工业株式会社 2017-10-03 CN disclosed
CN-102024562-B For the manufacture of solvent or the solvent compositions of laminated ceramic component DAICEL CHEMICAL INDUSTRIES CO., LTD. (JP) 2016-03-09 CN disclosed
CN-104487052-A Hydrogel fragrance capsule, formulations and process for preparing the same INT FLAVORS & FRAGRANCES INC 2015-04-01 CN disclosed
CN-102395423-B Carrier system for fragrances BASF SE 2015-03-18 CN disclosed