SCHEMBL25699536

SCHEMBL25699536

CCCSC1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
RECQL P46063 1/20 0.43
EPHX1 P07099 1/20 0.43
NR1H2 P55055 1/20 0.42
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR119 Q8TDV5 3/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
DPP4 P27487 1/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 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
SCHEMBL408276 0.91 HPGD (0.50) HPGDMAPTALDH1A1RECQLEPHX1
SCHEMBL25177622 0.88 NR1H2 (0.46) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL1999986 0.84 HPGD (0.46) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL4552184 0.81 HPGD (0.47) HPGDMAPTRECQLEPHX1USP2
SCHEMBL21797974 0.81 HPGD (0.41) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL31319964 0.80 HPGD (0.50) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL22680124 0.80 HPGD (0.50) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL23207055 0.80 HPGD (0.50) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL24541794 0.79 MEN1 (0.50) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL24261185 0.78 HPGD (0.49) HPGDMAPTMEN1ALDH1A1KMT2A

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
WO-2023081840-A1 KRAS G12C INHIBITORS FRONTIER MEDICINES CORPORATION (US) 2023-05-11 WO disclosed