SCHEMBL29669441

SCHEMBL29669441

COc1cc(OCC(=O)O)ccc1C=O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
PTGDR2 Q9Y5Y4 2/20 0.54
LMNA P02545 1/20 0.54
ROCK2 O75116 1/20 0.50
ROCK1 Q13464 1/20 0.50
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAOB P27338 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
MCL1 Q07820 1/20 0.48
PTPN7 P35236 1/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTPN1 P18031 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
SCHEMBL3292757 1.00 ALDH1A1 (0.63) ALDH1A1PTGDR2LMNAROCK2ROCK1
SCHEMBL7284155 0.89 PTGDR2 (0.63) ALDH1A1PTGDR2LMNASMN1; SMN2MAPT
SCHEMBL29707984 0.88 ALDH1A1 (0.63) ALDH1A1PTGDR2LMNAPOLBSMN1; SMN2
SCHEMBL7840891 0.88 ALDH1A1 (0.63) ALDH1A1PTGDR2LMNAPOLBSMN1; SMN2
SCHEMBL2562580 0.87 ALDH1A1 (0.61) ALDH1A1ROCK2ROCK1POLBMAOB
SCHEMBL7682529 0.87 ALDH1A1 (0.61) ALDH1A1ROCK2ROCK1MAOBMEN1
Propynal SCHEMBL7550118 0.86 PTGDR2 (0.60) ALDH1A1PTGDR2LMNAROCK2ROCK1
SCHEMBL1124419 0.84 ALDH1A1 (0.58) ALDH1A1MAOBMEN1MAPTKMT2A
SCHEMBL12371619 0.84 ALDH1A1 (0.58) ALDH1A1ROCK2ROCK1SMN1; SMN2MAOB
SCHEMBL6510637 0.83 ALDH1A1 (0.58) ALDH1A1LMNAROCK2ROCK1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4247541-A1 METHODS OF MAKING AND USING PLATFORMS FOR PEPTIDE SYNTHESIS AND COMPOSITIONS THEREOF Peptilogics, Inc. (US) 2023-09-27 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2022109456-A1 METHODS OF MAKING AND USING PLATFORMS FOR PEPTIDE SYNTHESIS AND COMPOSITIONS THEREOF LEE FRANCIS (US) 2022-05-27 WO disclosed