SCHEMBL29956865

SCHEMBL29956865

CC(C)c1c(O)cccc1C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.55
TRIM24 O15164 1/20 0.54
TRIM33 Q9UPN9 1/20 0.54
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
TYR P14679 2/20 0.47
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43
TLR6 Q9Y2C9 1/20 0.43
TDP1 Q9NUW8 3/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
CA9 Q16790 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL3432003 1.00 ERN1 (0.55) ERN1TRIM24TRIM33CA1CA2
SCHEMBL3432503 0.82 ERN1 (0.48) ERN1TRIM24TRIM33CA1CA2
SCHEMBL1981753 0.82 ERN1 (0.48) ERN1TRIM24TRIM33CA1CA2
SCHEMBL4072726 0.82 TYR (0.53) ERN1TRIM24TRIM33CA1CA2
SCHEMBL2948542 0.80 GABRA1 (0.39) ERN1TRIM24TRIM33CA1CA2
SCHEMBL725385 0.78 GABRA1 (0.52) CA1CA2TYRTDP1LMNA
SCHEMBL5473286 0.78 LMNA (0.42) ERN1TRIM24TRIM33CA1CA2
SCHEMBL29472311 0.78 LMNA (0.42) ERN1TRIM24TRIM33CA1CA2
SCHEMBL11782846 0.78 ALDH1A1 (0.56) ERN1TRIM24TRIM33CA1CA2
SCHEMBL8218747 0.77 KDM4E (0.66) CA1CA2LMNAKDM4EMAPT

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-117467303-A Ink composition for ink-jet printing, ink for ink-jet printing and ink-jet direct plate-making plate material 长胜纺织科技发展(上海)有限公司 2024-01-30 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed