SCHEMBL30030715

SCHEMBL30030715

CC(C)(C)c1ccc(C(=O)OCC[N+](C)(CCOC(=O)c2ccc(C(C)(C)C)cc2)CCOC(=O)c2ccc(C(C)(C)C)cc2)cc1.COS(=O)(=O)O

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE known ✓ P22303 1/20 0.41
▸ CHRM1 known ✓ P11229 1/20 0.37
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ BCHE P06276 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ RECQL P46063 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MAPT P10636 5/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL18831838 0.91 BCHE (0.40) CA1CA2BCHEACHEALDH1A1
SCHEMBL30030962 0.85 STS (0.42) ALDH1A1LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL30031511 0.82 PHLPP2 (0.46) CA1CA2ACHEALDH1A1LMNA
SCHEMBL22471858 0.82 CA1 (0.44) CA1CA2ALDH1A1LMNATDP1
Water SCHEMBL16321972 0.80 BCHE (0.57) CA1CA2BCHEACHEALDH1A1
SCHEMBL5456918 0.78 HDAC1 (0.52) CA1CA2ALDH1A1LMNATDP1
SCHEMBL18776004 0.77 CA1 (0.43) CA1CA2BCHEALDH1A1LMNA
SCHEMBL12376587 0.75 MAPT (0.52) CA1CA2BCHEALDH1A1LMNA
SCHEMBL14984037 0.75 TDP1 (0.58) CA1CA2BCHEALDH1A1LMNA
Sulfuric Acid SCHEMBL29169846 0.74 ALDH1A1 (0.45) CA1CA2ALDH1A1LMNATDP1

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
WO-2022265060-A1 EPOXY RESIN AND METHOD FOR PRODUCING EPOXY RESIN 三菱ケミカル株式会社 2022-12-22 — — WO disclosed
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