SCHEMBL11346348

SCHEMBL11346348

CCOC(=O)CCC(C(=O)OCC)P(=O)(OCC)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 3/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 5/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
CYP3A4 P08684 3/20 0.37
ALOX15 P16050 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TRPA1 O75762 1/20 0.35
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 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
SCHEMBL23778988 0.86 L3MBTL1 (0.35) L3MBTL1POLBKMT2AALDH1A1TSHR
SCHEMBL1051880 0.84 POLB (0.53) POLBALDH1A1TSHRGAACYP3A4
SCHEMBL9461450 0.82 ALDH1A1 (0.54) L3MBTL1POLBALDH1A1TSHRCYP1A2
SCHEMBL10847001 0.82 POLB (0.41) POLBKMT2AALDH1A1TSHRCYP3A4
SCHEMBL9380986 0.82 POLB (0.41) L3MBTL1POLBALDH1A1TSHRGAA
SCHEMBL11690303 0.81 ALDH1A1 (0.53) L3MBTL1POLBALDH1A1TSHRCYP1A2
SCHEMBL25277788 0.81 POLB (0.40) L3MBTL1POLBALDH1A1TSHRGAA
SCHEMBL3675752 0.81 POLB (0.43) L3MBTL1POLBALDH1A1TSHRCYP3A4
SCHEMBL1052265 0.80 POLB (0.40) L3MBTL1POLBALDH1A1TSHRMGAM
SCHEMBL8532180 0.80 POLB (0.40) POLBALDH1A1TSHRMGAMGAA

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-4246103-A INHIBIT PRECIPITATION OF HARD WATER IONS ESPECIALLY FOR INDUSTRIAL WATER AND SLUDGE BAYER AKTIENGESELLSCHAFT (DE) 1981-01-20 US disclosed