SCHEMBL28338208

SCHEMBL28338208

C=CCOC(=O)N(CCCCCCCCCCCCCC)C(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 1/20 0.36
FAAH O00519 1/20 0.35
LMNA P02545 2/20 0.34
ZDHHC20 Q5W0Z9 2/20 0.34
ZDHHC2 Q9UIJ5 2/20 0.34
ACE2 Q9BYF1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GPR84 Q9NQS5 3/20 0.33
NAAA Q02083 1/20 0.33
FFAR1 O14842 1/20 0.33
MAPT P10636 2/20 0.32
HCAR2 Q8TDS4 1/20 0.32
HPGD P15428 1/20 0.32
LCK P06239 1/20 0.32
PPARD Q03181 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
SCHEMBL29404427 1.00 TSHR (0.48) TSHREPHX2ALDH1A1FAAHLMNA
SCHEMBL4612257 0.84 TSHR (0.47) TSHREPHX2ALDH1A1LMNATDP1
SCHEMBL11007741 0.84 EPHX2 (0.43) EPHX2ALDH1A1LMNAZDHHC20ZDHHC2
SCHEMBL31346605 0.84 EPHX2 (0.43) EPHX2ALDH1A1LMNAZDHHC20ZDHHC2
SCHEMBL5821827 0.77 ALDH1A1 (0.45) EPHX2ALDH1A1LMNAACE2GPR84
SCHEMBL6287606 0.77 ALDH1A1 (0.45) EPHX2ALDH1A1LMNAACE2GPR84
SCHEMBL5821830 0.77 ALDH1A1 (0.45) EPHX2ALDH1A1LMNAACE2GPR84
SCHEMBL6332036 0.76 TSHR (0.56) TSHREPHX2FAAHZDHHC20ZDHHC2
SCHEMBL30744367 0.75 CETP (0.46) TSHRALDH1A1LMNATDP1HPGD
SCHEMBL14313840 0.74 TSHR (0.53) TSHREPHX2FAAHZDHHC20ZDHHC2

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-110596258-B Method for identifying sterilization mode of pine pollen based on metabonomics analysis 烟台新时代健康产业有限公司 2022-03-01 CN disclosed
CN-110596258-A Method for identifying sterilization mode of pine pollen based on metabonomics analysis 烟台新时代健康产业有限公司 2019-12-20 CN disclosed