SCHEMBL25813121

SCHEMBL25813121

CCOC(C)OC(=O)CCc1cc(C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.40
HMGCR P04035 2/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 2/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
AGTR1 P30556 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSPA5 P11021 1/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL11595437 0.87 GAA (0.44) GAAKMT2AMEN1HMGCRCYP1A2
SCHEMBL10408533 0.83 GAA (0.50) GAAKMT2AMEN1HMGCRCYP1A2
SCHEMBL1083078 0.83 GAA (0.56) GAAKMT2AMEN1HMGCRCYP1A2
SCHEMBL7245953 0.81 GAA (0.43) GAAKMT2AMEN1HMGCRCYP1A2
SCHEMBL29609413 0.81 GAA (0.52) GAAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL29656702 0.80 GAA (0.45) GAAKMT2AMEN1HMGCRCYP1A2
SCHEMBL24520446 0.80 GAA (0.44) GAAKMT2AMEN1HMGCRCYP1A2
SCHEMBL10915909 0.80 GAA (0.44) GAAKMT2AMEN1HMGCRCYP1A2
SCHEMBL10618619 0.80 GAA (0.44) GAAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL10915912 0.80 GAA (0.44) GAAKMT2AMEN1HMGCRCYP1A2

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-20230203274-A1 ADDITIVE COMPOSITION AND USE THEREOF, CONDENSATION POLYMER COMPOSITION,MOLDING COMPOUND AND MOLDING COMPOUNDS PRODUCED THEREFROM, AND MOLDED PARTS AND USE THEREOF Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2023-06-29 US disclosed