SCHEMBL14045260

SCHEMBL14045260

COC(OC)(C(=O)c1ccc(OCCCCOO)cc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.61
▸ MAPT P10636 3/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ PARP10 Q53GL7 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ PPARA Q07869 2/20 0.45
▸ GAA P10253 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PLA2G4B P0C869 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HTT P42858 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
SCHEMBL12116835 0.97 CES1 (0.61) CES1MAPTRAB9APARP10L3MBTL1
SCHEMBL10299683 0.93 CES1 (0.63) CES1MAPTRAB9APARP10L3MBTL1
SCHEMBL278824 0.92 CES1 (0.69) CES1MAPTRAB9APARP10L3MBTL1
SCHEMBL10299602 0.87 CES1 (0.61) CES1MAPTRAB9APPARAPKM
SCHEMBL14020431 0.86 CES1 (0.65) CES1MAPTRAB9APARP10L3MBTL1
SCHEMBL12114023 0.85 CES1 (0.63) CES1MAPTRAB9APARP10L3MBTL1
SCHEMBL10299597 0.83 PPARA (0.56) CES1L3MBTL1PPARAGAATP53
SCHEMBL10299601 0.82 CES1 (0.67) CES1MAPTRAB9AALDH1A1LMNA
SCHEMBL10299609 0.82 CES1 (0.58) CES1MAPTRAB9APARP10L3MBTL1
SCHEMBL10299612 0.82 CES1 (0.47) CES1MAPTRAB9APARP10L3MBTL1

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
US-20080241424-A1 Ink-jet ink and ink-jet recording method KONICA MINOLTA HOLDINGS, INC. (JP) 2008-10-02 — — US disclosed
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