SCHEMBL6554333

SCHEMBL6554333

COC(=O)CC(C)CCNC(=O)C1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 5/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 4/20 0.47
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN3A Q9NY46 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
HSD17B10 Q99714 1/20 0.43
USP30 Q70CQ3 1/20 0.40
SCN4A P35499 1/20 0.40

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
SCHEMBL2389879 0.86 SMN1; SMN2 (0.60) SMN1; SMN2KMT2APOLBALDH1A1MEN1
SCHEMBL7304791 0.86 SMN1; SMN2 (0.60) SMN1; SMN2KMT2APOLBALDH1A1MEN1
SCHEMBL11585903 0.84 SMN1; SMN2 (0.60) SMN1; SMN2KMT2APOLBALDH1A1MEN1
SCHEMBL5233459 0.82 SMN1; SMN2 (0.63) SMN1; SMN2KMT2APOLBALDH1A1MEN1
SCHEMBL5233467 0.82 SMN1; SMN2 (0.63) SMN1; SMN2KMT2APOLBALDH1A1MEN1
SCHEMBL20061841 0.80 SMN1; SMN2 (0.61) SMN1; SMN2KMT2APOLBALDH1A1MEN1
SCHEMBL7398961 0.80 SMN1; SMN2 (0.61) SMN1; SMN2KMT2APOLBALDH1A1MEN1
SCHEMBL24648736 0.80 SMN1; SMN2 (0.63) SMN1; SMN2KMT2APOLBALDH1A1MEN1
SCHEMBL15244828 0.80 SMN1; SMN2 (0.63) SMN1; SMN2KMT2APOLBALDH1A1MEN1
SCHEMBL4994907 0.80 SMN1; SMN2 (0.63) SMN1; SMN2KMT2APOLBALDH1A1MEN1

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-1389111-A1 COMPOSITION FOR INHIBITING HIV ACTIVITY EXTRACTED FROM i PAECILOMYCES SP. /i (TOCHU-KASO) J300 Republic of Korea (KR) 2004-02-18 EP disclosed
WO-2002080921-A1 COMPOSITION FOR INHIBITING HIV ACTIVITY EXTRACTED FROM PAECILOMYCES SP. (TOCHU-KASO) J300 REPUBLIC OF KOREA (KR) 2002-10-17 WO disclosed