SCHEMBL8961272

SCHEMBL8961272

CCOP(=O)(OCC)C(Br)C(C)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
GAA P10253 3/20 0.39
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PPARD Q03181 2/20 0.35
HMGCR P04035 2/20 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
SCHEMBL8961431 0.83 HMGCR (0.36) POLBGAACYP3A4HMGCR
SCHEMBL8961388 0.80 CYP3A4 (0.47) GAATSHRL3MBTL1CYP3A4
SCHEMBL3822346 0.77 POLB (0.48) POLBGAATSHRL3MBTL1CYP3A4
SCHEMBL8961321 0.77 CYP2C19 (0.44) CYP2C19
SCHEMBL22034596 0.77 TSHR (0.46) POLBGAATSHRL3MBTL1CYP3A4
SCHEMBL1585013 0.77 TSHR (0.46) POLBGAATSHRL3MBTL1CYP3A4
SCHEMBL9614470 0.76 TSHR (0.50) POLBGAATSHRL3MBTL1CYP3A4
SCHEMBL20558035 0.75 POLB (0.47) POLBGAATSHRL3MBTL1CYP3A4
SCHEMBL5596192 0.74 CYP3A4 (0.43) POLBGAATSHRL3MBTL1CYP3A4
SCHEMBL10588317 0.74 POLB (0.43) POLBGAATSHRL3MBTL1CYP3A4

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