SCHEMBL7433393

SCHEMBL7433393

CCOc1cccc(C(=O)CNC(C)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
KMT2A Q03164 3/20 0.56
LMNA P02545 4/20 0.51
NR1H4 Q96RI1 1/20 0.51
HTT P42858 1/20 0.51
HPGD P15428 4/20 0.50
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
POLB P06746 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
TP53 P04637 2/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 2/20 0.49
ALOX12 P18054 2/20 0.49

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
SCHEMBL7440403 0.85 MTNR1A (0.63) SMN1; SMN2RAB9ANPC1POLBMTNR1A
SCHEMBL22570687 0.85 SMN1; SMN2 (0.50) SMN1; SMN2KMT2ALMNANR1H4HTT
SCHEMBL7447867 0.81 RAB9A (0.60) KMT2ALMNAHPGDRAB9ANPC1
SCHEMBL11044058 0.81 HPGD (0.56) SMN1; SMN2KMT2ALMNANR1H4HTT
SCHEMBL7913254 0.80 HPGD (0.55) SMN1; SMN2KMT2ALMNANR1H4HTT
SCHEMBL307233 0.79 KMT2A (0.75) SMN1; SMN2KMT2ALMNANR1H4HTT
SCHEMBL15148379 0.78 L3MBTL1 (0.55) SMN1; SMN2KMT2ALMNAHPGDRAB9A
SCHEMBL9559962 0.78 HPGD (0.54) SMN1; SMN2KMT2ALMNANR1H4HTT
SCHEMBL920107 0.78 HPGD (0.54) SMN1; SMN2KMT2ALMNANR1H4HTT
SCHEMBL2379429 0.78 RAB9A (0.55) SMN1; SMN2KMT2ALMNANR1H4HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4453003-A ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS UMEZAWA HAMAO (JP) 1984-06-05 US disclosed
US-4391986-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediates therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-07-05 US disclosed
US-4281180-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediated therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-07-28 US disclosed