SCHEMBL363561

SCHEMBL363561

Cc1cc([C@](CC=O)(c2ccc(N3CCOCC3)cc2)c2ccccc2C)ccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.37
MAPT P10636 4/20 0.37
CTSA P10619 1/20 0.37
PSEN1 P49768 5/20 0.36
PSEN2 P49810 5/20 0.36
APH1B Q8WW43 5/20 0.36
NCSTN Q92542 5/20 0.36
APH1A Q96BI3 5/20 0.36
PSENEN Q9NZ42 5/20 0.36
ALDH1A1 P00352 5/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
GAA P10253 2/20 0.36
RAB9A P51151 2/20 0.36
HCRTR1 O43613 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
EGLN1 Q9GZT9 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL363791 1.00 AHR (0.37) AHRMAPTCTSAPSEN1PSEN2
SCHEMBL364479 0.88 CTSA (0.35) AHRMAPTCTSAPSEN1PSEN2
SCHEMBL363169 0.88 CTSA (0.35) AHRMAPTCTSAPSEN1PSEN2
SCHEMBL363093 0.84 IDH1 (0.31) MEN1
SCHEMBL364428 0.84 IDH1 (0.31) MEN1
SCHEMBL364417 0.81
SCHEMBL15949082 0.81
SCHEMBL364312 0.77 SMO (0.33)
SCHEMBL362833 0.74 PSEN1 (0.38) AHRMAPTCTSAPSEN1PSEN2
SCHEMBL365064 0.74 PSEN1 (0.38) AHRMAPTCTSAPSEN1PSEN2

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-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed