SCHEMBL26534252

SCHEMBL26534252

CCOCCOC(=O)Cc1ccc(C)c(CC(=O)OCCOCC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YWHAG P61981 1/20 0.46
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PKM P14618 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CYP4Z1 Q86W10 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
TBXAS1 P24557 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.36
ALOX5 P09917 1/20 0.36
FFAR1 O14842 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL26534258 0.87 YWHAG (0.44) YWHAGALDH1A1TSHRSMN1; SMN2L3MBTL1
SCHEMBL9883941 0.81 CYP4F2 (0.44) YWHAGALDH1A1TSHRSMN1; SMN2PKM
SCHEMBL27365290 0.80 KMT2A (0.48) YWHAGALDH1A1TSHRL3MBTL1CYP4Z1
SCHEMBL2946934 0.80 CYP4F2 (0.47) YWHAGALDH1A1TSHRSMN1; SMN2L3MBTL1
SCHEMBL11370889 0.76 PPARA (0.54) ALDH1A1
SCHEMBL27597408 0.75 ALDH1A1 (0.58) ALDH1A1TSHRSMN1; SMN2L3MBTL1LMNA
SCHEMBL13492095 0.75 MEN1 (0.49) YWHAGALDH1A1SMN1; SMN2L3MBTL1PKM
SCHEMBL9787773 0.75 TBXAS1 (0.57) ALDH1A1SMN1; SMN2CYP4Z1TBXAS1GAA
SCHEMBL11628393 0.74 YWHAG (0.42) YWHAGALDH1A1TSHRSMN1; SMN2L3MBTL1
SCHEMBL18159276 0.74 GAA (0.49) YWHAGALDH1A1L3MBTL1LMNAMAPT

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-4257683-A1 NOVEL URETHANASES FOR THE ENZYMATIC DECOMPOSITION OF POLYURETHANES Covestro Deutschland AG (DE) 2023-10-11 EP disclosed