SCHEMBL20458167

SCHEMBL20458167

CC(C)(C)OC(=O)N1CC[C@H]1C(O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
HPGD P15428 1/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RECQL P46063 1/20 0.39
EPHX1 P07099 1/20 0.39
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
PREP P48147 1/20 0.37

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
SCHEMBL22139321 0.90 HSD17B10 (0.49) HSD17B10HPGDSMN1; SMN2EPHX1
SCHEMBL20256229 0.90 HSD17B10 (0.49) HSD17B10HPGDSMN1; SMN2EPHX1
SCHEMBL26782422 0.88 HSD17B10 (0.40) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL26783131 0.88 HSD17B10 (0.40) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL25156722 0.88 HSD17B10 (0.40) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL25156692 0.88 HSD17B10 (0.40) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL4963392 0.88 HSD17B10 (0.40) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL30636997 0.88 HSD17B10 (0.40) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL13932860 0.86 NR1H2 (0.45) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL30636979 0.83 HSD17B10 (0.40) HSD17B10CHRM2CHRM1CHRM3HPGD

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
EP-2443107-B1 AZETIDINE 2 -CARBOXAMIDE DERIVATIVES WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2018-08-08 EP disclosed