SCHEMBL19386830

SCHEMBL19386830

CCCC(C)(C)OC(=O)CCC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPK1 P28482 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 3/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
NOTUM Q6P988 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HPGD P15428 1/20 0.41
SYK P43405 1/20 0.41
MBOAT4 Q96T53 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL28529705 0.90 ALDH1A1 (0.41) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL28529704 0.90 ALDH1A1 (0.41) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL7332893 0.83 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL18826684 0.81 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1LMNATDP1
Formaldehyde SCHEMBL28511632 0.81 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL1870004 0.80 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL19960 0.80 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1LMNATDP1
Methylene Chloride SCHEMBL27426562 0.79 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL1177836 0.79 ALDH1A1 (0.73) ALDH1A1MAPK1L3MBTL1LMNATDP1
Succinic Acid Monobenzyl Ester SCHEMBL2858793 0.79 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233889-B1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS SHANGHAI MICURX PHARMACEUTICAL CO LTD (CN) 2022-07-06 EP disclosed
CN-107257803-B Polymyxin antibacterial agents for the treatment of bacterial infections 上海盟科药业股份有限公司 2021-02-05 CN disclosed
US-9771394-B2 Antimicrobial polymyxins for treatment of bacterial infections MICURX PHARMACEUTICALS, INC. (KY) 2017-09-26 US disclosed