SCHEMBL8380668

SCHEMBL8380668

C=CCNCC(=O)N(CC=C)CC=C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
SMN1; SMN2 Q16637 6/20 0.40
MAPT P10636 3/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 5/20 0.35
LMNA P02545 4/20 0.33
TSHR P16473 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
CCR6 P51684 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
KCNH2 Q12809 1/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL14422937 0.90 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTCYP1A2POLB
SCHEMBL14423157 0.89 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPTCYP1A2POLB
SCHEMBL10533804 0.82 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTPOLBKDM4E
SCHEMBL362773 0.77 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2MAPTCYP1A2POLB
SCHEMBL14971234 0.77 KDM4E (0.36) ALDH1A1SMN1; SMN2MAPTKDM4ELMNA
SCHEMBL1645065 0.77 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTCYP1A2POLB
SCHEMBL14423158 0.74 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL428797 0.73 KDM4E (0.37) ALDH1A1SMN1; SMN2MAPTCYP1A2KDM4E
SCHEMBL4073329 0.73 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2MAPTPOLBTSHR
SCHEMBL15314335 0.73 FAAH (0.46) TSHR

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
EP-0703216-B1 Amidinophenol derivatives as protease inhibitors ONO PHARMACEUTICAL CO (JP) 1999-04-07 EP claimed