SCHEMBL8120922

SCHEMBL8120922

CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)CC[C@H]1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
BTK Q06187 1/20 0.41
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.36
POLB P06746 2/20 0.36
NR1H2 P55055 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL2680960 0.91 HSD17B10 (0.49) HSD17B10SMN1; SMN2BTKCHRM2CHRM1
SCHEMBL10236401 0.91 HSD17B10 (0.49) HSD17B10SMN1; SMN2BTKCHRM2CHRM1
SCHEMBL408875 0.88 SMN1; SMN2 (0.44) HSD17B10SMN1; SMN2BTKCHRM2CHRM1
SCHEMBL5505807 0.88 SMN1; SMN2 (0.44) HSD17B10SMN1; SMN2BTKCHRM2CHRM1
SCHEMBL19853293 0.85 HSD17B10 (0.49) HSD17B10SMN1; SMN2BTKCHRM2CHRM1
SCHEMBL19853319 0.85 HSD17B10 (0.49) HSD17B10SMN1; SMN2BTKCHRM2CHRM1
SCHEMBL601117 0.84 HSD17B10 (0.48) HSD17B10SMN1; SMN2BTKCHRM2CHRM1
SCHEMBL17841757 0.84 HSD17B10 (0.48) HSD17B10SMN1; SMN2BTKCHRM2CHRM1
SCHEMBL17922948 0.84 HSD17B10 (0.48) HSD17B10SMN1; SMN2BTKCHRM2CHRM1
SCHEMBL601118 0.84 HSD17B10 (0.48) HSD17B10SMN1; SMN2BTKCHRM2CHRM1

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-1000030-A1 PIPERIDINE OLIGOMERS AND COMBINATORIAL LIBRARIES THEREOF Phytera Symbion ApS (DK) 2000-05-17 EP disclosed
WO-1999003832-A1 PIPERIDINE OLIGOMERS AND COMBINATORIAL LIBRARIES THEREOF PHYTERA SYMBION APS (DK) 1999-01-28 WO disclosed