SCHEMBL8073389

SCHEMBL8073389

CC(C)(C)OC(=O)N1CC[C@H]1C[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
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
ATM Q13315 2/20 0.39
CTSK P43235 1/20 0.39
RECQL P46063 1/20 0.39
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4967116 1.00 HSD17B10 (0.41) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL3141725 0.90 HSD17B10 (0.49) HSD17B10HPGDSMN1; SMN2ATMALDH1A1
SCHEMBL6597261 0.88 PDE8B (0.47) HSD17B10HPGDSMN1; SMN2ATMCTSK
SCHEMBL5848588 0.88 CTSK (0.41) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL24121385 0.86 ATM (0.42) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL283443 0.86 NR1H2 (0.45) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL71903 0.86 NR1H2 (0.45) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL19158003 0.86 ATM (0.42) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL71904 0.86 NR1H2 (0.45) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL6696569 0.84 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
US-6124474-A Synthesis of chiral 2-azetidinemethanol compounds ABBOTT LABORATORIES (US) 2000-09-26 US disclosed