SCHEMBL9770174

SCHEMBL9770174

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PIN1 Q13526 1/20 0.36
ALDH1A1 P00352 5/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TRPA1 O75762 1/20 0.35
PKM P14618 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MMP8 P22894 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD17B10 Q99714 1/20 0.34
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
THRB P10828 1/20 0.34
TSHR P16473 3/20 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
SCHEMBL9770315 0.84 MEN1 (0.39) MEN1KMT2APIN1ALDH1A1LMNA
SCHEMBL9770200 0.79 KCNN4 (0.34) L3MBTL1
SCHEMBL16761021 0.76 PKM (0.38) MEN1KMT2AALDH1A1LMNANPSR1
SCHEMBL9770036 0.76 ALDH1A1 (0.36) MEN1KMT2APIN1ALDH1A1LMNA
SCHEMBL28723786 0.74 PKM (0.39) MEN1KMT2APIN1ALDH1A1LMNA
SCHEMBL3344606 0.71 ALDH1A1 (0.52) MEN1KMT2APIN1ALDH1A1LMNA
SCHEMBL297524 0.71
SCHEMBL17213472 0.71 MMP8 (0.39) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL7512919 0.70 PIN1 (0.44) MEN1KMT2APIN1ALDH1A1LMNA
SCHEMBL24414295 0.69

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-5025002-A Broad spectrum biocide, industrial process systems BROMINE COMPOUNDS LTD. (IL) 1991-06-18 US disclosed