SCHEMBL10378

SCHEMBL10378

CCCC(=O)Nc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.58
EPHX2 P34913 6/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 4/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
KDR P35968 1/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
THRB P10828 1/20 0.55
KMT2A Q03164 1/20 0.55
ATM Q13315 1/20 0.54
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL10627 0.94 EPHX2 (0.66) EPHX2SMN1; SMN2MAPTL3MBTL1ALDH1A1
SCHEMBL9505612 0.88 THRB (0.63) EPHX2SMN1; SMN2GAAMAPTL3MBTL1
SCHEMBL14006227 0.85 EPHX2 (0.65) EPHX2SMN1; SMN2MAPTL3MBTL1ALDH1A1
SCHEMBL10638 0.83 LMNA (0.67) MAPTALDH1A1LMNATHRBKMT2A
SCHEMBL11926736 0.82 KDM4E (0.65) EPHX2SMN1; SMN2GAAKDRALDH1A1
SCHEMBL4014247 0.81 EPHX2 (0.79) EPHX2MAPTRAB9AALDH1A1LMNA
SCHEMBL4974321 0.81 EPHX2 (0.70) EPHX2SMN1; SMN2GAANPC1RAB9A
SCHEMBL863522 0.79 SMN1; SMN2 (0.81) SMN1; SMN2GAAMAPTALDH1A1LMNA
SCHEMBL1801810 0.77 CD274 (0.62) EPHX2SMN1; SMN2GAAKDRALDH1A1
SCHEMBL10132797 0.77 EPHX2 (0.67) EPHX2MAPTNPC1RAB9AKDR

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