SCHEMBL9019168

SCHEMBL9019168

CCC(C)OC(=O)C(=O)C(CC(=O)c1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.49
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ GSK3B P49841 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HTT P42858 1/20 0.38
▸ MMP2 P08253 3/20 0.38
▸ MMP3 P08254 3/20 0.38
▸ MMP9 P14780 3/20 0.38
▸ MMP13 P45452 2/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ ERCC5 P28715 1/20 0.38

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
SCHEMBL9124420 0.77 POLB (0.54) POLBCYP2C9CYP2C19L3MBTL1KMT2A
SCHEMBL19642630 0.76 GSK3B (0.61) POLBCYP2C9CYP2C19L3MBTL1KMT2A
SCHEMBL928740 0.74 PDPK1 (0.47) POLBL3MBTL1KMT2AALDH1A1LMNA
SCHEMBL9019162 0.74 L3MBTL1 (0.48) POLBCYP2C9CYP2C19L3MBTL1KMT2A
SCHEMBL25612575 0.74 USP2 (0.58) L3MBTL1ALDH1A1MAPTHTT
SCHEMBL19660192 0.73 L3MBTL1 (0.61) POLBCYP2C9CYP2C19L3MBTL1KMT2A
SCHEMBL2672622 0.72 PPARG (0.47) CYP2C9CYP2C19MAPT
SCHEMBL8306301 0.72 POLB (0.64) POLBCYP2C9CYP2C19L3MBTL1KMT2A
SCHEMBL28802831 0.71 L3MBTL1 (0.54) POLBCYP2C9CYP2C19L3MBTL1KMT2A
SCHEMBL1155256 0.71 POLB (0.44) POLBCYP2C9CYP2C19L3MBTL1KMT2A

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
EP-0434940-B1 N-oxygenated arylpyrrole, insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID CO (US) 1996-05-29 — — EP disclosed
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