SCHEMBL28004384

SCHEMBL28004384

CCC(=O)C1CC1c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.54
HPGD P15428 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
GPR88 Q9GZN0 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
SLC6A3 Q01959 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL13911289 0.82 HDAC4 (0.56) SLC9A1HPGDALDH1A1GPR88HRH3
SCHEMBL26290355 0.82 HDAC4 (0.56) SLC9A1HPGDALDH1A1GPR88HRH3
SCHEMBL14038424 0.82 HDAC4 (0.56) SLC9A1HPGDALDH1A1GPR88HRH3
SCHEMBL6560499 0.82 HDAC4 (0.56) SLC9A1HPGDALDH1A1GPR88HRH3
SCHEMBL14038418 0.82 HDAC4 (0.56) SLC9A1HPGDALDH1A1GPR88HRH3
SCHEMBL6130283 0.80 SLC9A1 (0.58) SLC9A1HPGDALDH1A1LMNATP53
SCHEMBL6130281 0.80 SLC9A1 (0.58) SLC9A1HPGDALDH1A1LMNATP53
SCHEMBL14540161 0.80 SLC9A1 (0.58) SLC9A1HPGDALDH1A1LMNATP53
SCHEMBL15213234 0.79 SLC9A1 (0.50) SLC9A1HPGDALDH1A1LMNATP53
SCHEMBL14622854 0.79 SLC9A1 (0.50) SLC9A1HPGDALDH1A1LMNATP53

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-111472056-B Purifying CO in waste gas2Adsorption film, preparation method and regeneration method 上海凯矜新材料科技有限公司 2021-05-07 CN claimed
CN-111472056-A Purifying CO in waste gas2Adsorption film, preparation method and regeneration method 成都其其小数科技有限公司 2020-07-31 CN claimed
CN-111472056-B Purifying CO in waste gas2Adsorption film, preparation method and regeneration method 上海凯矜新材料科技有限公司 2021-05-07 CN disclosed
CN-111472056-A Purifying CO in waste gas2Adsorption film, preparation method and regeneration method 成都其其小数科技有限公司 2020-07-31 CN disclosed
CN-104822666-B Terazololine-one compound and application thereof 住友化学株式会社 2016-09-21 CN disclosed
CN-104822666-A Tetrazolinone compound and use thereof SUMITOMO CHEMICAL CO 2015-08-05 CN disclosed
CN-104557742-A Preparation method of prothioconazole analogue SHANGHAI SHENGHUA CHEMICAL TECHNOLOGY CO LTD 2015-04-29 CN disclosed