SCHEMBL29136541

SCHEMBL29136541

COc1cc(OC(=O)O)ccc1C=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.71
MAPT P10636 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP1A1 P04798 5/20 0.50
CYP1B1 Q16678 5/20 0.50
CYP1A2 P05177 4/20 0.50
TRIM24 O15164 1/20 0.50
TYR P14679 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TNFRSF1A P19438 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ERN1 O75460 3/20 0.46
LY96 Q9Y6Y9 1/20 0.46

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
SCHEMBL3292760 0.90 ALDH1A1 (0.71) ALDH1A1MAPTMEN1KMT2ACYP1A1
SCHEMBL29136540 0.88 ALDH1A1 (0.73) ALDH1A1MAPTMEN1KMT2ACYP1A1
SCHEMBL29136553 0.87 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2ACYP1A1
SCHEMBL16046208 0.86 ALDH1A1 (0.71) ALDH1A1MAPTMEN1KMT2ACYP1A1
SCHEMBL96291 0.83 ALDH1A1 (1.00) ALDH1A1MAPTMEN1KMT2ACYP1A1
SCHEMBL4182791 0.83 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2ACYP1A1
SCHEMBL3633730 0.83 ALDH1A1 (0.71) ALDH1A1MAPTMEN1KMT2ACYP1A1
SCHEMBL8356166 0.82 ALDH1A1 (0.75) ALDH1A1MAPTMEN1KMT2ACYP1A1
Hydrochloric Acid SCHEMBL9456784 0.82 ALDH1A1 (0.96) ALDH1A1MAPTMEN1KMT2ACYP1A1
SCHEMBL27655956 0.82 CA12 (0.59) ALDH1A1MAPTKMT2ACYP1A2NPC1

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
CN-117362164-A Photoresist monomer compound and preparation method and application thereof 中节能万润股份有限公司 2024-01-09 CN disclosed