SCHEMBL28114860

SCHEMBL28114860

CC(=O)O[C@H]1CC=CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CHRM2 P08172 5/20 0.33
CHRM1 P11229 3/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM3 P20309 2/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALOX15 P16050 3/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL7640695 1.00 TSHR (0.35) TSHRLMNATP53SMN1; SMN2ALDH1A1
SCHEMBL3672565 0.90 CHRM2 (0.33) TSHRLMNATP53SMN1; SMN2ALDH1A1
SCHEMBL2543856 0.89 CHRM2 (0.36) TSHRCHRM2CHRM1CHRM4CHRM5
SCHEMBL3678402 0.88 EPHX1 (0.34) ALDH1A1CHRM2CHRM1CHRM4CHRM5
SCHEMBL3678399 0.88 EPHX1 (0.34) ALDH1A1CHRM2CHRM1CHRM4CHRM5
SCHEMBL2642444 0.85
SCHEMBL880204 0.84
SCHEMBL24884685 0.83 EPHX1 (0.36) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL868024 0.83 EPHX1 (0.36) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL20839586 0.83 EPHX1 (0.36) CHRM2CHRM1CHRM4CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106119303-A A kind of protease splits the method for preparation chirality 3 cyclohexene 1 formic acid 浙江工业大学 2016-11-16 CN claimed
CN-116355876-A Recombinant esterase mutant, engineering bacterium and application thereof in synthesis of (S) -3-cyclohexene-1-formic acid 浙江工业大学 2023-06-30 CN disclosed
CN-112813131-B Carboxylesterase and application thereof in producing cyclohexenecarboxylic acid by kinetic resolution of cyclohexeneformate 江南大学 2022-07-15 CN disclosed
CN-112813131-A Carboxylesterase and application thereof in producing cyclohexenecarboxylic acid by kinetic resolution of cyclohexenecarboxylate 江南大学 2021-05-18 CN disclosed
CN-106119303-B Method for preparing chiral 3-cyclohexene-1-formic acid by protease resolution 浙江工业大学 2020-02-21 CN disclosed
CN-106119303-B Method for preparing chiral 3-cyclohexene-1-formic acid by protease resolution 浙江工业大学 2020-02-21 CN disclosed
CN-106119303-A A kind of protease splits the method for preparation chirality 3 cyclohexene 1 formic acid 浙江工业大学 2016-11-16 CN disclosed