SCHEMBL9248575

SCHEMBL9248575

CCOc1cccc(C=O)c1OCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.60
▸ L3MBTL1 Q9Y468 3/20 0.59
▸ GLA P06280 1/20 0.59
▸ KMT2A Q03164 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ CD69 Q07108 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ ACMSD Q8TDX5 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SRC P12931 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ TLR2 O60603 1/20 0.41
▸ ERN1 O75460 1/20 0.41
▸ TLR1 Q15399 1/20 0.41

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
SCHEMBL15332645 0.87 ALDH1A1 (0.53) PTGDR2L3MBTL1GLAKMT2ASMN1; SMN2
SCHEMBL2554736 0.87 PTGDR2 (0.62) PTGDR2L3MBTL1GLAKMT2ASMN1; SMN2
SCHEMBL181586 0.86 ALDH1A1 (0.50) PTGDR2L3MBTL1GLAKMT2ASMN1; SMN2
SCHEMBL29922833 0.86 ALDH1A1 (0.50) PTGDR2L3MBTL1GLAKMT2ASMN1; SMN2
SCHEMBL20150682 0.86 ALDH1A1 (0.49) PTGDR2L3MBTL1GLAKMT2AALDH1A1
SCHEMBL20068038 0.86 ALDH1A1 (0.56) PTGDR2L3MBTL1GLASMN1; SMN2ALDH1A1
SCHEMBL2556276 0.85 ALDH1A1 (0.44) PTGDR2L3MBTL1GLAKMT2ASMN1; SMN2
SCHEMBL2553617 0.83 ALDH1A1 (0.47) PTGDR2L3MBTL1GLAKMT2ASMN1; SMN2
SCHEMBL2556775 0.83 PTGDR2 (0.40) PTGDR2L3MBTL1GLAKMT2ASMN1; SMN2
SCHEMBL2561372 0.83 LMNA (0.41) PTGDR2L3MBTL1GLAKMT2ASMN1; SMN2

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-5378718-A Cardiovascular activity, hypotensive CEDONA PHARMACEUTICALS B.V. (NL) 1995-01-03 — — US disclosed
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