SCHEMBL3997658

SCHEMBL3997658

CCCCOC(C#N)(NC=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 2/20 0.34
LTA4H P09960 2/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.32
EBP Q15125 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL3751443 0.76 CYP2C19 (0.35) ALDH1A1SMN1; SMN2TSHRKDM4ETDP1
SCHEMBL3789477 0.72 CYP2C19 (0.40) ALDH1A1SMN1; SMN2GAATSHRKDM4E
SCHEMBL27530901 0.70 LTA4H (0.41) ALDH1A1SMN1; SMN2GAALTA4HTSHR
SCHEMBL7706278 0.70 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2GAATSHRKDM4E
SCHEMBL28821829 0.69 CTSK (0.38) EBPSIGMAR1MEN1
SCHEMBL3398385 0.67 KIF11 (0.59) LTA4HTSHRTDP1L3MBTL1
SCHEMBL6421194 0.67 LTA4H (0.47) ALDH1A1LTA4HTSHRTDP1L3MBTL1
SCHEMBL28059566 0.66 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2ATM
SCHEMBL11878904 0.66 LTA4H (0.43) ALDH1A1SMN1; SMN2LTA4HTSHRTDP1
SCHEMBL5738523 0.66 EBP (0.33) LTA4HEBPSIGMAR1TDP1MEN1

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-2069797-A2 METHODS FOR ANALYSING PROTEIN SAMPLES BASED ON THE IDENTIFICATION OF C-TERMINAL PEPTIDES Koninklijke Philips Electronics N.V. (NL) 2009-06-17 EP disclosed
WO-2008032235-A2 METHODS FOR ANALYSING PROTEIN SAMPLES BASED ON THE IDENTIFICATION OF C-TERMINAL PEPTIDES KONINKLIJKE PHILIPS ELECTRONICS N. V. (NL) 2008-03-20 WO disclosed