SCHEMBL28898511

SCHEMBL28898511

CCCc1cccc(P(=O)(O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.48
PGK1 P00558 3/20 0.46
PGK2 P07205 3/20 0.46
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA5A P35218 1/20 0.43
KAT6A Q92794 2/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CETP P11597 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38

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
SCHEMBL4394704 0.88 PGK1 (0.52) FBP1PGK1PGK2CA2CA4
SCHEMBL27552157 0.85 PGK1 (0.49) FBP1PGK1PGK2CA2CA4
SCHEMBL14354093 0.83 PGK1 (0.47) FBP1PGK1PGK2CA2CA4
SCHEMBL12230081 0.83 CETP (0.38) KAT6ACNR1CNR2CETP
SCHEMBL28146410 0.79 KEAP1 (0.55) PGK1PGK2CA2CA4CA5A
SCHEMBL12230063 0.79 KAT6A (0.36) KAT6ACNR1CNR2
SCHEMBL8389841 0.79 PGK1 (0.44) FBP1PGK1PGK2CA2CA4
SCHEMBL28212727 0.79 PGK1 (0.50) FBP1PGK1PGK2CA2CA4
SCHEMBL7595631 0.79 PGK1 (0.50) FBP1PGK1PGK2CA2CA4
SCHEMBL12229723 0.77 NPSR1 (0.45) CA2CA4CA5A

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-115398342-A Film-forming composition 日产化学株式会社 2022-11-25 CN disclosed