SCHEMBL28839653

SCHEMBL28839653

CC(C)(C)OC(=O)N1CC2(F)C([C@H]1C(=O)O)C2(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36
RORC P51449 8/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
BUB1 O43683 1/20 0.31
USP2 O75604 1/20 0.30

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
SCHEMBL28839780 0.80 NR1H2 (0.38) HSD17B10CHRM2CHRM1CHRM3
SCHEMBL10265402 0.74 HSD17B10 (0.37) HSD17B10RORCSMN1; SMN2CHRM2CHRM1
SCHEMBL5404302 0.74 HSD17B10 (0.37) HSD17B10RORCSMN1; SMN2CHRM2CHRM1
SCHEMBL8288621 0.74 HSD17B10 (0.37) HSD17B10RORCSMN1; SMN2CHRM2CHRM1
SCHEMBL883197 0.74 HSD17B10 (0.37) HSD17B10RORCSMN1; SMN2CHRM2CHRM1
SCHEMBL883277 0.74 HSD17B10 (0.37) HSD17B10RORCSMN1; SMN2CHRM2CHRM1
SCHEMBL8285616 0.74 HSD17B10 (0.37) HSD17B10RORCSMN1; SMN2CHRM2CHRM1
SCHEMBL6788364 0.71 HSD17B10 (0.48) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL22320894 0.71 HSD17B10 (0.40) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL23885612 0.71 HSD17B10 (0.40) HSD17B10RORCSMN1; SMN2CHRM2CHRM1

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-115043900-B Peptoid compound and application thereof in preparation of 2019-nCoV main protease inhibitor 深圳博瑞医药科技有限公司 2025-02-18 CN disclosed
CN-115043900-A Peptide-like compound and application thereof in preparation of 2019-nCoV main protease inhibitor 深圳博瑞医药科技有限公司 2022-09-13 CN disclosed