SCHEMBL1869397

SCHEMBL1869397

C=CCc1ccc(O)c(OC)c1C.C=CCc1ccc(O)c(OC)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.46
CYP3A4 P08684 3/20 0.46
ALDH1A1 P00352 3/20 0.46
AR P10275 1/20 0.46
PTGS1 P23219 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
GABRA1 P14867 7/20 0.44
GABRB2 P47870 7/20 0.44
CNR2 P34972 2/20 0.43
ALOX15 P16050 2/20 0.40
POLB P06746 1/20 0.39
ELANE P08246 1/20 0.38
XDH P47989 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH2 P05091 1/20 0.37

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
SCHEMBL132917 1.00 ALOX5 (0.46) ALOX5CYP3A4ALDH1A1ARPTGS1
Ether SCHEMBL28727008 0.92 TRPM8 (0.41) ALOX5CYP3A4ALDH1A1ARPTGS1
Acetic Acid SCHEMBL28484580 0.92 ALOX5 (0.41) ALOX5CYP3A4ALDH1A1ARPTGS1
SCHEMBL310587 0.86 ALOX5 (0.49) ALOX5CYP3A4ALDH1A1ARPTGS1
Eugenol SCHEMBL6664996 0.85 TRPM8 (0.70) ALOX5CYP3A4ALDH1A1ARPTGS1
SCHEMBL2843447 0.83 ALOX5 (0.46) ALOX5CYP3A4ALDH1A1ARPTGS1
Cis/Trans-Isoeugenol SCHEMBL8390314 0.82 TYR (0.60) ALOX5CYP3A4ALDH1A1ARPTGS1
SCHEMBL28387875 0.81 ALOX5 (0.45) ALOX5CYP3A4ALDH1A1ARPTGS1
SCHEMBL1050164 0.81 CYP3A4 (0.47) ALOX5CYP3A4ALDH1A1ARPTGS1
SCHEMBL1173287 0.80 ALOX5 (0.44) ALOX5CYP3A4ALDH1A1ARPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108853292-A A kind of Chinese medicine and preparation method thereof for treating allergic rhinitis 周金鹏 2018-11-23 CN disclosed
CN-107050081-A Application of the asarum essential oil in treatment medicine for treating rheumatoid arthritis and Saving cortilage health products are prepared 四川九渊医药科技有限公司 2017-08-18 CN disclosed
CN-106511481-A Medicine composition for treating tuberculosis and preparation method thereof 济南昊雨青田医药技术有限公司 2017-03-22 CN disclosed
CN-104087419-A Method for extracting volatile oil and methyleugenol from melaleuca bracteata by adopting supercritical CO2 extraction method UNIV SUN YAT SEN 2014-10-08 CN disclosed
CN-103081906-B Aleurodicus dispersus russell attractant and application thereof UNIV SOUTH CHINA AGRICULT 2014-05-28 CN disclosed
CN-103081906-A Aleurodicus dispersus russell attractant and application thereof UNIV SOUTH CHINA AGRICULT 2013-05-08 CN disclosed
EP-2496682-A1 DELIVERY PARTICLE The Procter & Gamble Company (US) 2012-09-12 EP disclosed
WO-2011056935-A1 DELIVERY PARTICLE THE PROCTER & GAMBLE COMPANY (US) 2011-05-12 WO disclosed