SCHEMBL12114015

SCHEMBL12114015

O=C(O)CCOc1ccc(C(=O)C(O)c2ccc(OCCC(=O)O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.54
▸ MMP2 P08253 1/20 0.48
▸ PPARA Q07869 1/20 0.48
▸ CES2 O00748 2/20 0.47
▸ CES1 P23141 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ POLB P06746 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ FFAR1 O14842 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PARP10 Q53GL7 1/20 0.41
▸ GAA P10253 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
SCHEMBL11557533 0.83 TP53 (0.55) L3MBTL1MAPK1TSHR
SCHEMBL11373785 0.83 L3MBTL1 (0.55) L3MBTL1LMNAMAPTMAPK1TSHR
SCHEMBL30887385 0.79 PARP10 (0.56) L3MBTL1CES2CES1LMNATSHR
SCHEMBL2299624 0.79 PARP10 (0.56) L3MBTL1CES2CES1LMNATSHR
SCHEMBL12114012 0.78 CES2 (0.61) CES2CES1LMNAMAPTTSHR
SCHEMBL2234098 0.78 PKM (0.69) L3MBTL1MMP2PPARAMAPTPKM
SCHEMBL10766584 0.78 LTA4H (0.55) LMNAMAPK1TSHR
SCHEMBL6836761 0.76 CES2 (0.46) L3MBTL1CES2CES1LMNAPOLB
SCHEMBL24805947 0.75 L3MBTL1 (0.54) L3MBTL1MMP2PPARAPOLBTDP1
SCHEMBL2213697 0.75 L3MBTL1 (0.72) L3MBTL1MMP2PPARALMNAPOLB

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-8052270-B2 Ink-jet ink and ink-jet recording method KONICA MINOLTA HOLDINGS, INC. (JP) 2011-11-08 — — US disclosed
US-20090169765-A1 INK-JET INK AND INK-JET RECORDING METHOD KONICA MINOLTA HOLDINGS, INC. (JP) 2009-07-02 — — US disclosed
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