SCHEMBL1006114

SCHEMBL1006114

Nc1ccc(OCCCCCNC(=O)O)cc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ CA12 O43570 3/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ MTNR1A P48039 4/20 0.39
▸ MTNR1B P49286 4/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL20982809 0.94 L3MBTL1 (0.46) ALDH1A1L3MBTL1TP53MAPK1KDM4E
SCHEMBL1004191 0.83 MEN1 (0.48) ALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL25232048 0.81 ALDH1A1 (0.49) ALDH1A1CA12CA1CA2CA9
SCHEMBL1005270 0.81 CA12 (0.65) CA12CA1CA2CA9
SCHEMBL25228989 0.81 TSHR (0.57) ALDH1A1L3MBTL1TP53MAPK1KDM4E
SCHEMBL25242154 0.81 TSHR (0.57) ALDH1A1L3MBTL1TP53MAPK1KDM4E
SCHEMBL25247465 0.79 TSHR (0.55) ALDH1A1L3MBTL1TP53GAAMAPK1
SCHEMBL30021523 0.79 LTA4H (0.48) HPGDSMN1; SMN2RECQL
SCHEMBL18185321 0.78 CNR2 (0.45) L3MBTL1TP53GAAMAPK1KDM4E
SCHEMBL7515066 0.78 HPGD (0.49) ALDH1A1L3MBTL1TP53GAAMAPK1

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
WO-2011005609-A2 IMAGING GASTROINTESTINAL VOLUMES AND MOTILITY MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2011-01-13 — — WO disclosed
Send feedback