SCHEMBL20855705

SCHEMBL20855705

CCOC(=O)C1CCC(O)(CN)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
ALDH1A1 P00352 6/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD11B1 P28845 1/20 0.40
PPM1B O75688 1/20 0.39
PTPN1 P18031 1/20 0.39
PPP1CC P36873 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
LGMN Q99538 1/20 0.38

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
SCHEMBL21061853 0.86 MAPT (0.47) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL16840450 0.84 MAPT (0.46) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL25309557 0.83 MAPT (0.45) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL21061555 0.83 MAPT (0.45) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL18255889 0.81 MAPT (0.44) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL16841463 0.80 MAPT (0.49) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL4251805 0.80 MAPT (0.49) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL4251803 0.80 MAPT (0.49) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL880005 0.80 MAPT (0.43) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL9986149 0.80 MAPT (0.46) MAPTALDH1A1CYP3A4CYP2D6CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111662245-A Synthesis method of ethyl-3-oxylidene-1-oxa-4-azaspiro [5.5] undecane-9-formic acid ester 上海合全药物研发有限公司 2020-09-15 CN disclosed
WO-2019063748-A1 ROR-GAMMA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-04 WO disclosed
WO-2019063748-A1 ROR-GAMMA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-04 WO disclosed