SCHEMBL28533498

SCHEMBL28533498

CCC(C)(C)C(=O)Cl.CCC(C)(C)C(=O)OCCCCCC(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
FKBP1A P62942 2/20 0.37
LTA4H P09960 1/20 0.36
RIPK1 Q13546 1/20 0.36

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
SCHEMBL17848886 0.94 ALDH1A1 (0.45) EPHX2ALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL28532225 0.91 HTT (0.43) EPHX2ALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL801917 0.85 SMN1; SMN2 (0.48) EPHX2ALDH1A1L3MBTL1LMNAMEN1
SCHEMBL17848824 0.84 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1TDP1CYP3A4
SCHEMBL11964211 0.84 L3MBTL1 (0.47) EPHX2ALDH1A1L3MBTL1LMNAMEN1
SCHEMBL25172376 0.78 ALDH1A1 (0.57) EPHX2ALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL11124646 0.78 ALDH1A1 (0.57) EPHX2ALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL22819559 0.78 ALDH1A1 (0.57) EPHX2ALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL7094905 0.78 ALDH1A1 (0.57) EPHX2ALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL772826 0.78 ALDH1A1 (0.57) EPHX2ALDH1A1MAPK1L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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