SCHEMBL21063404

SCHEMBL21063404

COC(=O)CCN1CC(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.42
KCNA3 P22001 1/20 0.42
BTK Q06187 1/20 0.41
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
CA12 O43570 1/20 0.40
CA14 Q9ULX7 1/20 0.40
DRD2 P14416 3/20 0.40
CYP2C9 P11712 1/20 0.38
HSD11B1 P28845 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CCR5 P51681 1/20 0.38
GAA P10253 1/20 0.38
DRD3 P35462 1/20 0.37
EPHX1 P07099 1/20 0.37
EPHX2 P34913 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 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
SCHEMBL21063694 0.87 CTSK (0.46) CTSKKCNA3BTKCA2CA1
SCHEMBL7584401 0.86 KCNA3 (0.57) CTSKSMN1; SMN2KCNA3BTKCA2
SCHEMBL21069361 0.85 CTSK (0.47) CTSKKCNA3BTKCA2CA1
SCHEMBL20519467 0.84 CTSK (0.46) CTSKKCNA3BTKCA2CA1
SCHEMBL24690240 0.83 CTSK (0.48) CTSKKCNA3BTKCA2CA1
SCHEMBL31420976 0.82 CTSK (0.47) CTSKKCNA3BTKCA2CA1
SCHEMBL30289057 0.82 CTSK (0.47) CTSKKCNA3BTKCA2CA1
SCHEMBL30164348 0.82 CTSK (0.47) CTSKKCNA3BTKCA2CA1
SCHEMBL31250880 0.81 CTSK (0.51) CTSKSMN1; SMN2KCNA3BTKCA2
SCHEMBL24443965 0.81 CTSK (0.46) CTSKKCNA3BTKCA2CA1

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
WO-2024175925-A1 MC2R MODULATOR COMPOUNDS Omass Therapeutics Limited (GB) 2024-08-29 WO disclosed
WO-2019118612-A1 TARGETING COMPOUNDS ZAFGEN, INC. (US) 2019-06-20 WO disclosed
WO-2019118612-A1 TARGETING COMPOUNDS ZAFGEN, INC. (US) 2019-06-20 WO disclosed