SCHEMBL10627

SCHEMBL10627

CCCC(=O)Nc1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.66
HRH3 Q9Y5N1 4/20 0.62
MAPK1 P28482 2/20 0.62
ALDH1A1 P00352 1/20 0.62
CYP1A2 P05177 1/20 0.62
CHRM2 P08172 1/20 0.62
CHRM1 P11229 1/20 0.62
HTR2A P28223 1/20 0.62
SCN1A P35498 1/20 0.62
HTR2B P41595 1/20 0.62
KCNH2 Q12809 1/20 0.62
SCN2A Q99250 1/20 0.62
SIGMAR1 Q99720 1/20 0.62
SCN3A Q9NY46 1/20 0.62
USP2 O75604 1/20 0.60
LMNA P02545 1/20 0.60
MAPT P10636 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL10378 0.94 LIPE (0.58) EPHX2ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL10638 0.89 LMNA (0.67) HRH3ALDH1A1CYP1A2CHRM2HTR2A
SCHEMBL14006227 0.89 EPHX2 (0.65) EPHX2HRH3MAPK1ALDH1A1CYP1A2
SCHEMBL9505612 0.85 THRB (0.63) EPHX2HRH3MAPK1ALDH1A1CYP1A2
SCHEMBL4261838 0.79 EPHX2 (1.00) EPHX2ALDH1A1MAPTSMN1; SMN2
SCHEMBL14006223 0.78 LMNA (0.68) HRH3ALDH1A1CYP1A2CHRM2HTR2A
SCHEMBL4256144 0.78 EPHX2 (1.00) EPHX2
SCHEMBL9390735 0.78 L3MBTL1 (0.74) ALDH1A1CYP1A2MAPTL3MBTL1SMN1; SMN2
Pramoxine SCHEMBL26020 0.78 ALDH1A1 (1.00) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL13949485 0.78 EPHX2 (0.67) EPHX2HRH3MAPK1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488489-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-08-22 EP disclosed
WO-2011045703-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-04-21 WO disclosed