SCHEMBL8961301

SCHEMBL8961301

CCCOP(=O)(OCCC)C(Br)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.36
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
LPAR3 Q9UBY5 3/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR2 Q9HBW0 2/20 0.31
CYP3A4 P08684 1/20 0.31
FAAH O00519 1/20 0.31
LPAR5 Q9H1C0 1/20 0.31
GAA P10253 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL8961381 0.83 CYP3A4 (0.40) HMGCRCYP3A4GAA
SCHEMBL17860895 0.78 HMGCR (0.34) HMGCRMEN1KMT2ALMNALPAR3
SCHEMBL8961431 0.72 HMGCR (0.36) HMGCRMEN1KMT2ALMNALPAR3
SCHEMBL8961408 0.72 LMNA (0.38) LMNAALDH1A1
SCHEMBL10990547 0.72 MEN1 (0.38) HMGCRMEN1KMT2ALMNALPAR3
SCHEMBL4449824 0.72 LPAR5 (0.39) HMGCRMEN1KMT2ALMNALPAR3
SCHEMBL4457979 0.71 LPAR5 (0.36) HMGCRMEN1KMT2ALMNALPAR3
SCHEMBL12942609 0.69 PLA2G2A (0.37) LMNAGAAALDH1A1
SCHEMBL17878617 0.68 HMGCR (0.33) HMGCRMEN1KMT2ALMNALPAR3
SCHEMBL6307077 0.68 HCAR2 (0.34) HMGCRMEN1KMT2ALMNALPAR3

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