SCHEMBL4732797

SCHEMBL4732797

CC1CCC(C(C)C)C(OC(=O)c2cc(O)c(O)c(O)c2)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
HPGD P15428 3/20 0.56
SERPINE1 P05121 4/20 0.55
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP19A1 P11511 2/20 0.49
EPHX1 P07099 2/20 0.48
ACLY P53396 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 1/20 0.46
P2RX4 Q99571 1/20 0.46

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
SCHEMBL18585781 0.87 ALDH1A1 (0.57) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL18585621 0.86 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL28419624 0.84 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL1862739 0.83 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL9493633 0.81 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EMAPTGAA
Menthyl Benzoate SCHEMBL3885473 0.81 ALDH1A1 (0.69) ALDH1A1HPGDKDM4EMAPTMAPK1
Menthyl Benzoate SCHEMBL18708099 0.81 ALDH1A1 (0.69) ALDH1A1HPGDKDM4EMAPTMAPK1
Menthyl Benzoate SCHEMBL17407563 0.81 ALDH1A1 (0.69) ALDH1A1HPGDKDM4EMAPTMAPK1
Menthyl Benzoate SCHEMBL15498193 0.81 ALDH1A1 (0.69) ALDH1A1HPGDKDM4EMAPTMAPK1
SCHEMBL18585692 0.81 KMT2A (0.56) ALDH1A1HPGDKDM4EMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101314730-B Supersonic wave auxiliary preparation for anti-oxidant prefabricated solution for biological diesel oil and use method therof INST CHEM IND FOREST PROD CAF 2013-02-27 CN claimed
CN-101314730-A Supersonic wave auxiliary preparation for anti-oxidant prefabricated solution for biological diesel oil and use method therof INST CHEM IND FOREST PROD CAF (CN) 2008-12-03 CN claimed
US-20180243309-A1 TOPICAL ANTIVIRAL COMPOSITIONS TOPICAL REMEDY LLC (US) 2018-08-30 US disclosed
EP-3344265-A1 TOPICAL ANTIVIRAL COMPOSITIONS Topical Remedy, LLC (US) 2018-07-11 EP disclosed
WO-2017040844-A1 TOPICAL ANTIVIRAL COMPOSITIONS TOPICAL REMEDY, LLC (US) 2017-03-09 WO disclosed
CN-101314730-B Supersonic wave auxiliary preparation for anti-oxidant prefabricated solution for biological diesel oil and use method therof INST CHEM IND FOREST PROD CAF 2013-02-27 CN disclosed
CN-101607907-B Substituted benzoic acid derivative and synthesizing method thereof and application thereof UNIV NORTHWESTERN 2013-01-23 CN disclosed
CN-101318905-B Method for synthesizing gallic acid terpene alcohol ester with auxiliary supersonic wave INST CHEM IND FOREST PROD CAF 2010-09-15 CN disclosed
CN-101607907-A The benzoic acid derivative and the preparation method and use thereof that replace UNIV NORTHWESTERN (CN) 2009-12-23 CN disclosed
CN-101318905-A Method for synthesizing gallic acid terpene alcohol ester with auxiliary supersonic wave INST CHEM IND FOREST PROD CAF (CN) 2008-12-10 CN disclosed
CN-101314730-A Supersonic wave auxiliary preparation for anti-oxidant prefabricated solution for biological diesel oil and use method therof INST CHEM IND FOREST PROD CAF (CN) 2008-12-03 CN disclosed
WO-2008065527-A2 GALLIC ACID ESTERS OF FRAGRANT ALCOHOLS GHISALBERTI CARLO (BR) 2008-06-05 WO disclosed