SCHEMBL2793142

SCHEMBL2793142

NCC(=O)OC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TDP1 Q9NUW8 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45

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
SCHEMBL27469161 0.91 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL28039282 0.88 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL27622821 0.85 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL42974 0.85 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL48133 0.85 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL25998483 0.84 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
Hydrochloric Acid SCHEMBL42973 0.83 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
Bromide SCHEMBL7209454 0.83 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL7185216 0.83 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL10459697 0.83 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2

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 79 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117659158-B IL-2 derivative and preparation method thereof 深圳市鹏泰生物科技有限公司 2024-09-27 CN claimed
CN-117820417-A Near-infrared bimodal optical probe and preparation method and application thereof 中国药科大学 2024-04-05 CN claimed
CN-117659158-A IL-2 derivative and preparation method thereof 深圳市鹏泰生物科技有限公司 2024-03-08 CN claimed
CN-109644858-B Method for increasing fucoxanthin in brown algae 浙江海洋大学 2021-01-26 CN claimed
CN-108794353-A A kind of compound is used as the application of the closed reagent of glycosyl on antibody 嵊州宝康医疗科技有限公司 2018-11-13 CN claimed
CN-119156230-A Ligand-drug conjugates and uses thereof 江苏先声药业有限公司 2024-12-17 CN disclosed
CN-117659158-B IL-2 derivative and preparation method thereof 深圳市鹏泰生物科技有限公司 2024-09-27 CN disclosed
CN-118652256-A EED inhibitor and preparation method and application thereof 上海科技大学 2024-09-17 CN disclosed
CN-118382624-A PARP inhibitors, pharmaceutical compositions comprising the same and uses thereof 凯复(苏州)生物医药有限公司 2024-07-23 CN disclosed
CN-114929707-B EED inhibitor and preparation method and application thereof 上海科技大学 2024-04-09 CN disclosed
CN-117820417-A Near-infrared bimodal optical probe and preparation method and application thereof 中国药科大学 2024-04-05 CN disclosed
CN-117683078-A Preparation method of glycyl-L-glutamine 武汉桀升生物科技有限公司 2024-03-12 CN disclosed
WO-1991007431-A1 METAL-PEPTIDE COMPOSITIONS AND METHODS FOR STIMULATING HAIR GROWTH PROCYTE CORPORATION (US) 1991-05-30 WO disclosed
EP-0288278-A2 Chemical derivatives of GHL-CU PROCYTE CORPORATION (US) 1988-10-26 EP disclosed
US-RE31071-E 6-Aza-3H-1,4-benzodiazepines DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1982-11-02 US disclosed
US-4140764-A ISOCLAVULANIC ACID OR SALT, OXAPENICILLINS IN COMBINATION WITH PENCILLINS OR CEPHALOSPORINS BEECHAM GROUP LIMITED (GB) 1979-02-20 US disclosed
US-4123540-A Isoclavulanic acid as an antibacterial and a β-lactamase inhibitor BEECHAM GROUP LIMITED (GB) 1978-10-31 US disclosed
US-4012397-A 2-Benzoyl-3-amino-pyridines DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1977-03-15 US disclosed
US-4008223-A SPASMOLYTIC, ANTIPHLOGISTIC, TRANQUILIZER DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1977-02-15 US disclosed
US-3969361-A 2-Benzoyl-3-amino-pyridines DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1976-07-13 US disclosed