SCHEMBL10585442

SCHEMBL10585442

CC1CN(C(=O)OC(C)(C)C)CC(C(=O)O)C1O

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.45
▸ PDE4B Q07343 2/20 0.41
▸ USP2 O75604 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37
▸ RECQL P46063 1/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ NAMPT P43490 1/20 0.36

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
SCHEMBL30342352 0.88 NR1H2 (0.49) NR1H2PDE4BUSP2SMN1; SMN2HPGD
SCHEMBL10137666 0.88 NR1H2 (0.49) NR1H2PDE4BUSP2SMN1; SMN2HPGD
SCHEMBL25608131 0.88 NR1H2 (0.49) NR1H2PDE4BUSP2SMN1; SMN2HPGD
SCHEMBL10137667 0.88 NR1H2 (0.49) NR1H2PDE4BUSP2SMN1; SMN2HPGD
SCHEMBL10137713 0.88 NR1H2 (0.49) NR1H2PDE4BUSP2SMN1; SMN2HPGD
SCHEMBL24707902 0.88 NR1H2 (0.49) NR1H2PDE4BUSP2SMN1; SMN2HPGD
SCHEMBL1052921 0.86 NR1H2 (0.53) NR1H2PDE4BUSP2SMN1; SMN2CHRM2
SCHEMBL20905506 0.86 NR1H2 (0.53) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL1051376 0.86 NR1H2 (0.53) NR1H2PDE4BUSP2SMN1; SMN2CHRM2
SCHEMBL6065186 0.86 NR1H2 (0.53) NR1H2PDE4BUSP2SMN1; SMN2CHRM2

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-0322034-A2 Methyl tetrahydropyridyl oxadiazoles MERCK SHARP & DOHME LTD. (GB) 1989-06-28 — — EP disclosed
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