SCHEMBL31268362

SCHEMBL31268362

COCCOCCOc1ccc(C=O)cc1OCCOCCOC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 2/20 0.71
▸ ALDH1A1 P00352 13/20 0.63
▸ MAPT P10636 11/20 0.63
▸ HPGD P15428 10/20 0.63
▸ CYP2C9 P11712 3/20 0.63
▸ CYP1A2 P05177 2/20 0.63
▸ CYP2C19 P33261 2/20 0.63
▸ CYP2D6 P10635 1/20 0.63
▸ LMNA P02545 3/20 0.61
▸ NPSR1 Q6W5P4 3/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ HTT P42858 2/20 0.61
▸ L3MBTL1 Q9Y468 4/20 0.56
▸ TDP1 Q9NUW8 3/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ ALOX12 P18054 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ KMT2A Q03164 1/20 0.56

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
SCHEMBL30802598 1.00 FDPS (0.71) FDPSALDH1A1MAPTHPGDCYP2C9
SCHEMBL16360861 1.00 FDPS (0.71) FDPSALDH1A1MAPTHPGDCYP2C9
SCHEMBL482374 0.95 FDPS (0.77) FDPSALDH1A1MAPTHPGDCYP2C9
SCHEMBL4990035 0.89 FDPS (0.59) FDPSALDH1A1MAPTHPGDCYP2C9
SCHEMBL3464529 0.89 FDPS (0.69) FDPSALDH1A1MAPTHPGDCYP2C9
SCHEMBL1515797 0.89 FDPS (0.78) FDPSALDH1A1MAPTHPGDCYP2C9
SCHEMBL2201517 0.89 FDPS (0.90) FDPSALDH1A1MAPTHPGDCYP2C9
SCHEMBL13531028 0.88 FDPS (0.67) FDPSALDH1A1MAPTHPGDCYP2C9
SCHEMBL30407414 0.88 FDPS (0.58) FDPSALDH1A1MAPTHPGDCYP2C9
SCHEMBL7867510 0.88 FDPS (0.58) FDPSALDH1A1MAPTHPGDCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118892786-A Supermolecule hydrogel microcapsule and preparation method thereof 华东理工大学 2024-11-05 — — CN claimed
CN-118892786-A Supermolecule hydrogel microcapsule and preparation method thereof 华东理工大学 2024-11-05 — — CN disclosed
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