SCHEMBL9133129

SCHEMBL9133129

Nc1cc(B(O)O)ccc1C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.37
ENPP2 Q13822 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TTR P02766 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3787045 0.82 MGLL (0.47) MGLLENPP2KDM4EALDH1A1TTR
SCHEMBL3786498 0.74 ENPP2 (0.41) MGLLENPP2KDM4EALDH1A1TTR
SCHEMBL3790569 0.71 MGLL (0.47) MGLLENPP2KDM4EALDH1A1CA1
SCHEMBL1554300 0.69 TSHR (0.39) KDM4EALDH1A1SMN1; SMN2
SCHEMBL1554380 0.69 TSHR (0.39) KDM4EALDH1A1SMN1; SMN2
SCHEMBL1554371 0.69 TSHR (0.39) KDM4EALDH1A1SMN1; SMN2
SCHEMBL28744374 0.68 ENPP2 (0.50) ENPP2KDM4EALDH1A1TTRCA1
SCHEMBL29484231 0.68 ENPP2 (0.50) ENPP2KDM4EALDH1A1TTRCA1
SCHEMBL3789433 0.67 MGLL (0.52) MGLLENPP2TTRCA1CA2
SCHEMBL29700447 0.67 MGLL (0.52) MGLLENPP2TTRCA1CA2

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
JP-7062023-A None JP disclosed
JP-H0762023-A MODIFIED MALEIC ACID COPOLYMER AND USE NIPPON OIL & FATS CO LTD 1995-03-07 JP disclosed