SCHEMBL28656262

SCHEMBL28656262

Cc1cc(C)c(C)c(C)c1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[KH]

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 13/20 0.46
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
ACHE P22303 2/20 0.37
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL28951 0.84 RAPGEF4 (0.59) RAPGEF4CA1CA2MMP1MMP2
SCHEMBL1551822 0.84 RAPGEF4 (0.59) RAPGEF4CA1CA2MMP1MMP2
SCHEMBL5180888 0.81 RAPGEF4 (0.56) RAPGEF4CA1CA2MMP1MMP2
SCHEMBL28482658 0.81 RAPGEF4 (0.56) RAPGEF4CA1CA2MMP1MMP2
SCHEMBL10412763 0.81 RAPGEF4 (0.56) RAPGEF4CA1CA2MMP1MMP2
SCHEMBL6255294 0.78 RAPGEF4 (0.53) RAPGEF4CA1CA2MMP1MMP2
SCHEMBL18044240 0.74 RAPGEF4 (0.38) RAPGEF4CA1CA2MMP1MMP2
SCHEMBL30380206 0.74 RAPGEF4 (0.38) RAPGEF4CA1CA2MMP1MMP2
SCHEMBL4701345 0.73 RAPGEF4 (0.48) RAPGEF4CA1CA2MMP1MMP2
SCHEMBL10659964 0.73 RAPGEF4 (0.48) RAPGEF4CA1CA2MMP1MMP2

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-110294776-B Method for preparing aryl phosphine oxide derivative 苏州大学 2021-12-10 CN disclosed