SCHEMBL2665712

SCHEMBL2665712

CC(NCc1ccc(C(=O)NCCC(=O)O)cc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
HDAC1 Q13547 3/20 0.50
TPSAB1 Q15661 1/20 0.49
TAOK1 Q7L7X3 1/20 0.48
TAOK3 Q9H2K8 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GPR139 Q6DWJ6 2/20 0.48
HDAC6 Q9UBN7 2/20 0.47
GCGR P47871 2/20 0.47
ADCY6 O43306 1/20 0.47
ADCY3 O60266 1/20 0.47
ADCY9 O60503 1/20 0.47
ADCY5 O95622 1/20 0.47
ADCY8 P40145 1/20 0.47
ADCY7 P51828 1/20 0.47
ADCY2 Q08462 1/20 0.47
ADCY1 Q08828 1/20 0.47
ADCY4 Q8NFM4 1/20 0.47
EPHX2 P34913 1/20 0.47

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
SCHEMBL27601086 0.84 NAAA (0.63) SMN1; SMN2HDAC1TAOK1TAOK3NPC1
SCHEMBL5039785 0.84 NAAA (0.63) SMN1; SMN2HDAC1TAOK1TAOK3NPC1
SCHEMBL5048823 0.84 NAAA (0.63) SMN1; SMN2HDAC1TAOK1TAOK3NPC1
SCHEMBL21153228 0.78 SMN1; SMN2 (0.60) SMN1; SMN2HDAC1NPC1RAB9AHDAC6
SCHEMBL25360452 0.77 CYP3A4 (0.59) SMN1; SMN2
SCHEMBL2749557 0.77 CYP3A4 (0.59) SMN1; SMN2
SCHEMBL27943340 0.77 CYP3A4 (0.59) SMN1; SMN2
SCHEMBL14469578 0.77 SMN1; SMN2 (0.82) SMN1; SMN2
SCHEMBL9072937 0.75 CA1 (0.52) HDAC1HDAC6GCGREPHX2CA1
Betamipron SCHEMBL605899 0.75 PRSS1 (0.70) SMN1; SMN2HDAC1NPC1RAB9AHDAC6

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-2004002480-A1 NOVEL GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed