SCHEMBL28649152

SCHEMBL28649152

C/C=C1/CN(C(=O)OC(C)(C)C)C(C(=O)O)C1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36
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
GPR119 Q8TDV5 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NR1H2 P55055 1/20 0.31
TPSAB1 Q15661 1/20 0.31
TPSD1 Q9BZJ3 1/20 0.31
TPSG1 Q9NRR2 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
SCHEMBL3431028 0.81 HSD17B10 (0.38) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL28649617 0.75 KMT2A (0.40) MEN1KMT2A
SCHEMBL28649616 0.75 KMT2A (0.40) MEN1KMT2A
SCHEMBL6884261 0.72 MEN1 (0.39) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL22820871 0.72 USP2 (0.36) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL23925570 0.72 HSD17B10 (0.46) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL18669621 0.72 HSD17B10 (0.46) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL17986813 0.72 HSD17B10 (0.46) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL1948729 0.72 HSD17B10 (0.46) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL29984534 0.72 HSD17B10 (0.46) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108794572-B Total synthesis method of natural product Lucentamycin A 上海交通大学 2021-10-15 CN disclosed