SCHEMBL10299605

SCHEMBL10299605

COc1ccc(C(=O)C(OCCO)(OCCO)c2ccc(OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ CA1 P00915 6/20 0.46
▸ CA2 P00918 6/20 0.46
▸ MAPT P10636 2/20 0.45
▸ CES1 P23141 2/20 0.44
▸ CES2 O00748 1/20 0.44
▸ PLK1 P53350 1/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL21784939 0.84 ALDH1A1 (0.50) ALOX15ALDH1A1LMNAAPEX1MAPK1
SCHEMBL10299600 0.80 CES1 (0.62) ALOX15ALDH1A1LMNAAPEX1MAPK1
SCHEMBL16546884 0.80 MAPT (0.46) ALOX15ALDH1A1LMNAAPEX1MAPK1
SCHEMBL6463051 0.79 CES1 (0.53) ALDH1A1RECQLMAPTCES1PLK1
SCHEMBL14523014 0.76 CES1 (0.71) ALDH1A1LMNAMAPK1RECQLHSD17B10
SCHEMBL2491594 0.75 SLC6A11 (0.45) ALOX15ALDH1A1LMNAAPEX1MAPK1
SCHEMBL17324195 0.74 CES1 (0.48) ALDH1A1LMNAMAPK1MAPTCES1
SCHEMBL10299612 0.73 CES1 (0.47) ALDH1A1LMNATDP1MAPTCES1
SCHEMBL9618568 0.73 CES1 (0.77) ALDH1A1CA1CA2MAPTCES1
SCHEMBL14020431 0.72 CES1 (0.65) ALDH1A1LMNARECQLMAPTCES1

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-8216353-B2 Photoinitiator is a benzyl ketal compound incorporating a pendent water-soluble group via an oxygen atom or a sulfur atom; exhibits a high photocuring sensitivity, specifically even to black ink, and is easily handled KONICA MINOLTA HOLDINGS, INC. (JP) 2012-07-10 — — US disclosed
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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