SCHEMBL22787488

SCHEMBL22787488

CCOC(=O)CC1C2CC3CC(C2)CC1C3

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.53
EPHX2 P34913 3/20 0.42
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 4/20 0.39
TRPA1 O75762 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL9742313 0.81 HSD11B1 (0.41) HSD11B1EPHX2MGAMGAASI
SCHEMBL3712186 0.81 SIRT5 (0.42) HSD11B1EPHX2MGAMGAASI
SCHEMBL2747443 0.80 HSD11B1 (0.57) HSD11B1EPHX2L3MBTL1KMT2A
SCHEMBL3902691 0.79 CYP1A2 (0.46) HSD11B1EPHX2ALDH1A1L3MBTL1CYP1A2
SCHEMBL18045654 0.79 HSD11B1 (0.47) HSD11B1EPHX2ALDH1A1L3MBTL1MAPK1
SCHEMBL3753078 0.78 MGAM (0.43) EPHX2MGAMGAASIMGAM2
SCHEMBL18979943 0.78 GAA (0.39) EPHX2MGAMGAASIMGAM2
SCHEMBL26606177 0.78 GAA (0.39) EPHX2MGAMGAASIMGAM2
Hydrochloric Acid SCHEMBL23930684 0.77 MGAM (0.38) EPHX2MGAMGAASIMGAM2
SCHEMBL19010963 0.77 MGAM (0.38) EPHX2MGAMGAASIMGAM2

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-116745267-A Benzimidazole derivatives for the treatment of respiratory diseases 跨膜蛋白16A有限公司 2023-09-12 CN disclosed
WO-2022123314-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATING RESPIRATORY DISEASE TMEM16A LIMITED (GB) 2022-06-16 WO disclosed
CN-114269721-A Compounds for the treatment of respiratory diseases TMEM16A有限公司 2022-04-01 CN disclosed
WO-2020249957-A1 COMPOUNDS FOR TREATING RESPIRATORY DISEASE Enterprise Therapeutics Limited (GB) 2020-12-17 WO disclosed