SCHEMBL6937651

SCHEMBL6937651

CC(=O)Oc1cccc(Cl)c1OC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.61
▸ PTPN1 P18031 1/20 0.49
▸ KDM4E B2RXH2 5/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ BLM P54132 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ PTGS2 P35354 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ HMGB1 P09429 1/20 0.47

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
SCHEMBL28782497 0.89 MAPK1 (0.49) MAPK1PTPN1KDM4ETDP1ALDH1A1
SCHEMBL3006462 0.88 KDM4E (0.48) MAPK1KDM4ETDP1ALDH1A1BLM
SCHEMBL9326165 0.86 KDM4E (0.47) MAPK1KDM4ETDP1ALDH1A1BLM
SCHEMBL5212814 0.86 MAPK1 (0.71) MAPK1PTPN1KDM4ETDP1ALDH1A1
SCHEMBL11224090 0.83 MAPK1 (0.44) MAPK1PTPN1TDP1KMT2AMAPT
SCHEMBL10499349 0.83 LMNA (0.48) MAPK1KDM4ETDP1ALDH1A1BLM
SCHEMBL6691258 0.82 MAPK1 (0.49) MAPK1PTPN1KDM4ETDP1ALDH1A1
SCHEMBL31612517 0.82 MAPK1 (0.49) MAPK1PTPN1KDM4ETDP1ALDH1A1
SCHEMBL29816549 0.82 PTGS2 (0.57) MAPK1KDM4ETDP1ALDH1A1BLM
SCHEMBL198168 0.82 PTGS2 (0.57) MAPK1KDM4ETDP1ALDH1A1BLM

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101538542-B Pseudomonad esterase and application in preparing optical pure mandel and derivative thereof UNIV EAST CHINA SCIENCE & TECH 2010-12-29 — — CN disclosed
CN-101538542-A Pseudomonad esterase and application in preparing optical pure mandel and derivative thereof UNIV EAST CHINA SCIENCE & TECH 2009-09-23 — — CN disclosed
CN-1190441-C Phosphine sulfide preparing process and use thereof MITSUI CHEMICALS INC (JP) 2005-02-23 — — CN disclosed
EP-0972776-B1 A phosphine sulfide, a manufacturing process therefor and a use thereof MITSUI CHEMICALS INC (JP) 2003-04-23 — — EP disclosed
US-6153794-A Phosphine sulfide, a manufacturing process therefor and use thereof MITSUI CHEMICALS, INC. (JP) 2000-11-28 — — US disclosed
CN-1262276-A Phosphine sulfide preparing process and use thereof MITSUI CHEMICALS INC (JP) 2000-08-09 — — CN disclosed
EP-0972776-A1 A phosphine sulfide, a manufacturing process therefor and a use thereof Mitsui Chemicals, Inc. (JP) 2000-01-19 — — EP disclosed
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