SCHEMBL30680643

SCHEMBL30680643

COc1ccc(C)cc1P(CCCP(c1cc(C)ccc1OC)c1cc(C)ccc1OC)c1cc(C)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.52
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 2/20 0.47
L3MBTL4 Q8NA19 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 10/20 0.41
MAPT P10636 8/20 0.41
HPGD P15428 7/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
MAPK1 P28482 3/20 0.41
USP2 O75604 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL2325597 1.00 ACHE (0.52) ACHEALDH1A1CYP3A4L3MBTL4L3MBTL3
SCHEMBL14265807 0.90 ACHE (0.43) ACHEALDH1A1CYP3A4L3MBTL4L3MBTL3
SCHEMBL9715823 0.79 ACHE (0.60) ACHEALDH1A1CYP3A4L3MBTL4L3MBTL3
SCHEMBL29433653 0.76 CA1 (0.48) ALDH1A1L3MBTL1TDP1SMN1; SMN2MAPK1
SCHEMBL2332056 0.76 CA1 (0.48) ALDH1A1L3MBTL1TDP1SMN1; SMN2MAPK1
SCHEMBL8164294 0.74 CA1 (0.46) ALDH1A1L3MBTL1TDP1SMN1; SMN2MAPK1
SCHEMBL10492154 0.74 TP53 (0.38) ALDH1A1L3MBTL1MAPTHPGDNPC1
Hydrochloric Acid SCHEMBL2827782 0.73 CA1 (0.44) ALDH1A1L3MBTL1TDP1SMN1; SMN2MAPK1
SCHEMBL9721753 0.73 CA1 (0.40) ALDH1A1L3MBTL1TDP1SMN1; SMN2POLB
SCHEMBL9151398 0.73 SMN1; SMN2 (0.38) ALDH1A1CYP3A4L3MBTL1MAPTHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117186387-A Solution polymerization method for synthesizing high molecular weight polyketone 浙江大学衢州研究院 2023-12-08 CN claimed
CN-117186387-A Solution polymerization method for synthesizing high molecular weight polyketone 浙江大学衢州研究院 2023-12-08 CN disclosed