SCHEMBL31320009

SCHEMBL31320009

CC(C)(C)OC(=O)N1CC[C@H](SC2CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
RECQL P46063 1/20 0.47
EPHX1 P07099 1/20 0.47
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GPR119 Q8TDV5 4/20 0.43
NR1H2 P55055 1/20 0.43
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
USP30 Q70CQ3 1/20 0.41

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
SCHEMBL22680124 0.85 HPGD (0.50) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL31319964 0.85 HPGD (0.50) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL23207055 0.85 HPGD (0.50) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL20232810 0.83 HPGD (0.49) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL29063819 0.83 HPGD (0.49) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL2146340 0.83 HPGD (0.49) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL12068060 0.83 EPHX1 (0.61) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL24261185 0.83 HPGD (0.49) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL2146334 0.83 HPGD (0.49) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL56416 0.82 HPGD (0.48) HPGDRECQLEPHX1MAPTALDH1A1

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-119219637-A Aromatic heterobicyclic compounds and antiviral uses thereof 苏州爱科百发生物医药技术有限公司 2024-12-31 CN disclosed