SCHEMBL8961438

SCHEMBL8961438

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.41
FDPS P14324 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ABCB1 P08183 1/20 0.39
CYP3A4 P08684 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTPN1 P18031 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
FAAH O00519 1/20 0.36
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SGPL1 O95470 4/20 0.35
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.34
SMPD1 P17405 1/20 0.34

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 0.89 LMNA (0.36) ZDHHC7FDPSABCB1FAAHCYP2C19
SCHEMBL8961422 0.82 LMNA (0.40) ZDHHC7FDPSCA1CA2CYP3A4
SCHEMBL9713369 0.74 FDPS (0.41) FDPSCA1CA2CYP3A4L3MBTL1
SCHEMBL11711197 0.74 FDPS (0.40) ZDHHC7FDPSCA1CA2CYP3A4
SCHEMBL8961321 0.71 CYP2C19 (0.44) CYP2C19LMNA
SCHEMBL27495692 0.71
SCHEMBL11229249 0.70 ALDH1A1 (0.45) FDPSCA1CA2CYP3A4L3MBTL1
SCHEMBL713480 0.69 SPHK1 (0.41) ZDHHC7FDPSCA1CA2ABCB1
SCHEMBL787792 0.68 CA2 (0.44) FDPSCA1CA2CYP3A4L3MBTL1
SCHEMBL7917946 0.67 SPHK1 (0.45) FDPSCA2CYP3A4SPHK1LMNA

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