SCHEMBL28464765

SCHEMBL28464765

CCOC(=O)CC1CCC(C(=O)OCC)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 2/20 0.47
ALDH1A1 P00352 3/20 0.45
PPM1B O75688 1/20 0.41
PTPN1 P18031 1/20 0.41
PPP1CC P36873 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL28473023 0.89 GAA (0.50) KMT2AMEN1MAPTALDH1A1PPM1B
SCHEMBL2721040 0.88
SCHEMBL1021852 0.86 MEN1 (0.49) KMT2AMEN1MAPTALDH1A1PPM1B
SCHEMBL18971850 0.85 PLG (0.47) KMT2AMEN1ALDH1A1PPM1BPTPN1
SCHEMBL175784 0.85 PLG (0.47) KMT2AMEN1ALDH1A1PPM1BPTPN1
SCHEMBL175785 0.85 PLG (0.47) KMT2AMEN1ALDH1A1PPM1BPTPN1
SCHEMBL19097291 0.85 MEN1 (0.50) KMT2AMEN1MAPTALDH1A1PPM1B
SCHEMBL17317643 0.85 MEN1 (0.50) KMT2AMEN1MAPTALDH1A1PPM1B
SCHEMBL1026025 0.85 MEN1 (0.50) KMT2AMEN1MAPTALDH1A1PPM1B
SCHEMBL173945 0.85 ALDH1A1 (0.48) KMT2AMEN1MAPTALDH1A1PPM1B

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-111689854-A Process for preparing 3-carbonyl-bicyclo [2.2.2] octane-2-formate 广东莱佛士制药技术有限公司 2020-09-22 CN disclosed