SCHEMBL3261252

SCHEMBL3261252

CCOC(=O)C(Sc1ncccc1OC(C)=O)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 8/20 0.42
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPK14 Q16539 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL28005595 0.74 KDM4E (0.42) PTGS2KDM4EALDH1A1CYP3A4ALOX12
SCHEMBL13313473 0.73 BRD4 (0.56) KDM4ECYP3A4ALOX12TDP1HSD17B10
SCHEMBL6641775 0.73 USP2 (0.45) POLBMAPTKDM4EALDH1A1LMNA
SCHEMBL16522632 0.72 MEN1 (0.57) MAPTKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL3248057 0.71 ALDH1A1 (0.52) PKMKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL13458380 0.70 KDM4E (0.51) PTGS2KDM4EALDH1A1LMNACYP3A4
SCHEMBL5711739 0.69 KDM4E (0.64) POLBMAPTPKMKDM4EALDH1A1
SCHEMBL13402255 0.69 PTGS2 (0.46) PTGS2KDM4ECYP3A4ALOX12TDP1
SCHEMBL1687118 0.69 KDM4E (0.48) PTGS2MAPTKDM4EALDH1A1CYP3A4
SCHEMBL31423866 0.67 CHRM2 (0.50) PTGS2KDM4EALDH1A1CYP3A4ALOX12

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-1736052-B1 Stem/leaf desiccant SUMITOMO CHEMICAL CO (JP) 2010-04-21 — — EP disclosed
EP-1736052-A2 Stem/leaf desiccant Sumitomo Chemical Company, Limited (JP) 2006-12-27 — — EP disclosed
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