SCHEMBL8961422

SCHEMBL8961422

CCC(O)C(Br)P(=O)(OC)OC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
CYP2C19 P33261 1/20 0.40
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
TSHR P16473 2/20 0.33
FDPS P14324 1/20 0.33
MMP3 P08254 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP8 P22894 1/20 0.30
CA9 Q16790 1/20 0.30
LAP3 P28838 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8961294 0.85 LMNA (0.36) LMNACYP2C19FDPSZDHHC7
SCHEMBL8961438 0.82 ZDHHC7 (0.41) LMNACYP2C19TSHRFDPSL3MBTL1
SCHEMBL8961321 0.78 CYP2C19 (0.44) LMNACYP2C19
SCHEMBL10952581 0.73 LMNA (0.44) LMNACYP2C19MMP1MMP2TSHR
SCHEMBL12315918 0.70 TRPM8 (0.41) LMNACYP2C19MMP1MMP2FDPS
Dimethyl 1-Hydroxyethylphosphonate SCHEMBL3361807 0.69
SCHEMBL21428632 0.69
SCHEMBL16978821 0.67 LMNA (0.37) LMNACYP2C19MMP1MMP2TSHR
SCHEMBL19728841 0.67 LMNA (0.37) LMNACYP2C19MMP1MMP2TSHR
SCHEMBL9422342 0.67 LMNA (0.43) LMNACYP2C19MMP1MMP2L3MBTL1

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
US-5532402-A Process for producing optically active hydroxyalkylphosphonates TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-07-02 US disclosed