SCHEMBL6629998

SCHEMBL6629998

CC(C)(C)CCNC(=O)c1ccc(OC(N)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.58
NPC1 O15118 6/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NAMPT P43490 1/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MMP13 P45452 1/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL5646582 0.85 MLYCD (0.58) MLYCDNPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL17865780 0.84 MLYCD (0.77) MLYCDNPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL12421889 0.80 NPC1 (0.49) NPC1RAB9ASMN1; SMN2KMT2AL3MBTL1
SCHEMBL19938019 0.80 MLYCD (0.67) MLYCDNPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL12243059 0.78 MLYCD (0.69) MLYCDNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5687748 0.78 MLYCD (0.69) MLYCDNPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL7214977 0.78 MLYCD (0.60) MLYCDNPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL7214982 0.78 MLYCD (0.60) MLYCDNPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL28813505 0.77 ALDH1A1 (0.68) SMN1; SMN2KMT2AALDH1A1POLBNFKB1
SCHEMBL5648352 0.77 RAB9A (0.61) MLYCDNPC1RAB9ASMN1; SMN2NAMPT

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-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed