SCHEMBL30396554

SCHEMBL30396554

CC1(C)CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
HSD11B1 P28845 2/20 0.38
EPHX2 P34913 1/20 0.36
NPC1 O15118 1/20 0.36
NR1H2 P55055 3/20 0.35
RXRA P19793 2/20 0.35
NR1H3 Q13133 2/20 0.35
USP2 O75604 1/20 0.35
KDM1A O60341 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL9003564 1.00 HSD17B10 (0.46) HSD17B10SMN1; SMN2HSD11B1EPHX2NPC1
SCHEMBL21649014 0.87 HSD17B10 (0.48) HSD17B10SMN1; SMN2HSD11B1NPC1LMNA
SCHEMBL8255174 0.85 NR1H2 (0.42) HSD17B10SMN1; SMN2HSD11B1EPHX2NPC1
SCHEMBL934024 0.85 HSD17B10 (0.46) HSD17B10SMN1; SMN2HSD11B1EPHX2NPC1
SCHEMBL14488388 0.85 HSD17B10 (0.46) HSD17B10SMN1; SMN2HSD11B1EPHX2NPC1
SCHEMBL16824583 0.85 HSD17B10 (0.46) HSD17B10SMN1; SMN2HSD11B1EPHX2NPC1
SCHEMBL2905429 0.84 HSD17B10 (0.42) HSD17B10SMN1; SMN2EPHX2USP2
SCHEMBL2905427 0.84 HSD17B10 (0.42) HSD17B10SMN1; SMN2EPHX2USP2
SCHEMBL16584822 0.84 HSD17B10 (0.42) HSD17B10SMN1; SMN2EPHX2USP2
SCHEMBL2126924 0.84 HSD17B10 (0.45) HSD17B10SMN1; SMN2HSD11B1EPHX2NPC1

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
CN-116096714-A Antiviral compounds for the treatment of coronavirus, picornavirus and norovirus infections 安力高医药股份有限公司 2023-05-09 CN disclosed
EP-4165037-A1 ANTI-VIRAL COMPOUNDS FOR TREATING CORONAVIRUS, PICORNAVIRUS, AND NOROVIRUS INFECTIONS Aligos Therapeutics, Inc. (US) 2023-04-19 EP disclosed