SCHEMBL11100462

SCHEMBL11100462

COC(=O)Cc1ccc([C@@H](O)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.54
▸ CYP4A11 Q02928 1/20 0.54
▸ LMNA P02545 4/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ SLC7A5 Q01650 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ HSP90AB1 P08238 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL11100460 1.00 CYP4F2 (0.54) CYP4F2CYP4A11LMNAMAPK1SLC7A5
SCHEMBL31008831 0.86 CYP4F2 (0.54) CYP4F2CYP4A11LMNASLC7A5ALDH1A1
SCHEMBL28408150 0.81 CYP4F2 (0.53) CYP4F2CYP4A11LMNASLC7A5ALDH1A1
SCHEMBL13849473 0.81 CYP4F2 (0.53) CYP4F2CYP4A11LMNASLC7A5ALDH1A1
SCHEMBL7076991 0.81 CYP4F2 (0.53) CYP4F2CYP4A11LMNASLC7A5ALDH1A1
SCHEMBL4113212 0.81 CYP4F2 (0.76) CYP4F2CYP4A11LMNAALDH1A1GAA
SCHEMBL2060365 0.80 CYP4F2 (0.59) CYP4F2CYP4A11LMNAALDH1A1TSHR
SCHEMBL13849449 0.79 CYP4F2 (0.54) CYP4F2CYP4A11LMNAALDH1A1GAA
SCHEMBL17966287 0.79 CYP4F2 (0.58) CYP4F2CYP4A11LMNAALDH1A1GAA
SCHEMBL9782118 0.78 CYP4F2 (0.53) CYP4F2CYP4A11LMNASLC7A5ALDH1A1

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
EP-0053408-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED GLYOXYLIC ACID DERIVATIVES STAMICARBON B.V. (NL) 1984-10-17 — — EP disclosed
EP-0053408-A1 Process for the preparation of substituted glyoxylic acid derivatives STAMICARBON B.V. (NL) 1982-06-09 — — EP disclosed
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