SCHEMBL9856830

SCHEMBL9856830

CCOC(=O)c1ccc(OC(=O)c2ccccc2)cc1.[NaH]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.61
ACR P10323 1/20 0.61
PARP10 Q53GL7 1/20 0.60
KMT2A Q03164 4/20 0.59
MAPT P10636 3/20 0.59
MEN1 O00255 3/20 0.59
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 1/20 0.59
HSP90AA1 P07900 1/20 0.59
HPGD P15428 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
NPC1 O15118 1/20 0.59
GAA P10253 1/20 0.59
RAB9A P51151 1/20 0.59
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
PKM P14618 1/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56

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
SCHEMBL8205737 0.98 PRSS1 (0.62) PRSS1ACRPARP10KMT2AMAPT
SCHEMBL5793276 0.93 MAPT (0.62) PRSS1ACRPARP10KMT2AMAPT
SCHEMBL10344282 0.91 PRSS1 (0.69) PRSS1ACRKMT2AMAPTMEN1
SCHEMBL10344352 0.89 PRSS1 (0.59) PRSS1ACRKMT2AMAPTMEN1
Ethyl Benzoate SCHEMBL9345283 0.88 LMNA (0.68) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
Ethyl Benzoate SCHEMBL29281029 0.87 ELANE (0.64) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL6318743 0.87 MEN1 (0.58) PRSS1ACRKMT2AMAPTMEN1
SCHEMBL8205439 0.86 PRSS1 (0.64) PRSS1ACRKMT2AMEN1ALDH1A1
Ethyl Benzoate SCHEMBL25388294 0.86 LMNA (0.70) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
Ethyl Benzoate SCHEMBL55674 0.86 LMNA (0.70) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2

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-110327763-A Environmentally-frieindoor indoor air cleanser 上海逸族环保科技有限公司 2019-10-15 CN claimed
CN-115487797-A Based on nano TiO 2 Air purification and preparation method thereof 杭州博华科技创新有限公司 2022-12-20 CN disclosed
CN-110327763-A Environmentally-frieindoor indoor air cleanser 上海逸族环保科技有限公司 2019-10-15 CN disclosed
CN-110327763-A Environmentally-frieindoor indoor air cleanser 上海逸族环保科技有限公司 2019-10-15 CN disclosed
CN-104706918-A Traditional Chinese medicine sirup for treating common cold in children and preparation method of traditional Chinese medicine sirup GUANGZHOU YIPINHONG PHARMACEUTICAL CO LTD 2015-06-17 CN disclosed
CN-1418077-A Method and apparatus for preventing the transmission of sexually transmitted diseases UNIV TEXAS (US) 2003-05-14 CN disclosed
EP-0426217-A2 Bleach precursors UNILEVER N.V. (NL) 1991-05-08 EP disclosed