SCHEMBL5361729

SCHEMBL5361729

CCC1(F)CCN(C(=O)OC(C)(C)C)C(C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD11B1 P28845 2/20 0.33
NPC1 O15118 1/20 0.33
EPHX2 P34913 1/20 0.33
NR1H2 P55055 3/20 0.33
RXRA P19793 2/20 0.33
NR1H3 Q13133 2/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL5224049 0.91 HSD17B10 (0.40) HSD17B10SMN1; SMN2POLBMEN1KMT2A
SCHEMBL4871852 0.89 HSD17B10 (0.39) HSD17B10SMN1; SMN2POLBMEN1KMT2A
SCHEMBL25930944 0.86 HSD17B10 (0.39) HSD17B10SMN1; SMN2POLBEPHX2NR1H2
SCHEMBL18591178 0.86 HSD17B10 (0.39) HSD17B10SMN1; SMN2POLBEPHX2NR1H2
SCHEMBL10215476 0.85 HSD17B10 (0.45) HSD17B10SMN1; SMN2POLBMEN1KMT2A
SCHEMBL2126924 0.85 HSD17B10 (0.45) HSD17B10SMN1; SMN2POLBMEN1KMT2A
SCHEMBL31148270 0.85 HSD17B10 (0.45) HSD17B10SMN1; SMN2POLBMEN1KMT2A
SCHEMBL16824583 0.80 HSD17B10 (0.46) HSD17B10SMN1; SMN2HSD11B1NPC1EPHX2
SCHEMBL30396554 0.80 HSD17B10 (0.46) HSD17B10SMN1; SMN2HSD11B1NPC1EPHX2
SCHEMBL14488388 0.80 HSD17B10 (0.46) HSD17B10SMN1; SMN2HSD11B1NPC1EPHX2

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-1814893-A2 NOVEL LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2007-08-08 EP disclosed
WO-2006055070-A2 NOVEL LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2006-05-26 WO disclosed