SCHEMBL28854901

SCHEMBL28854901

CCC(C)OC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.53
▸ HSD17B10 Q99714 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ KMT2A Q03164 4/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ KLK7 P49862 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ EPHX2 P34913 1/20 0.43

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
SCHEMBL14268224 0.86 HSD17B10 (0.56) POLBHSD17B10SMN1; SMN2KMT2ANPC1
SCHEMBL8274222 0.86 HSD17B10 (0.56) POLBHSD17B10SMN1; SMN2KMT2ANPC1
SCHEMBL7286305 0.82 HSD17B10 (0.61) POLBHSD17B10SMN1; SMN2KMT2ANPC1
SCHEMBL895773 0.82 HSD17B10 (0.61) POLBHSD17B10SMN1; SMN2KMT2ANPC1
SCHEMBL19414808 0.82 HSD17B10 (0.61) POLBHSD17B10SMN1; SMN2KMT2ANPC1
SCHEMBL23397608 0.82 HSD17B10 (0.55) POLBHSD17B10SMN1; SMN2KMT2ANPC1
SCHEMBL18206724 0.82 HSD17B10 (0.55) POLBHSD17B10SMN1; SMN2KMT2ANPC1
Hydrochloric Acid SCHEMBL28874591 0.82 HSD17B10 (0.52) POLBHSD17B10SMN1; SMN2KMT2ANPC1
SCHEMBL18206726 0.82 HSD17B10 (0.55) POLBHSD17B10SMN1; SMN2KMT2ANPC1
SCHEMBL13827672 0.82 POLB (0.53) POLBHSD17B10SMN1; SMN2KMT2ANPC1

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-115175735-B Antiviral compounds 吉利德科学公司 2025-03-04 — — CN disclosed
CN-115175735-A Antiviral compounds 吉利德科学公司 2022-10-11 — — CN disclosed
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