SCHEMBL28812480

SCHEMBL28812480

COc1c(CBr)ccc(CBr)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
TSHR P16473 2/20 0.34
APOBEC3A P31941 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL4678057 0.89 AOC3 (0.53) AOC3SMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL8130059 0.89 MAPT (0.40) AOC3SMN1; SMN2KDM4EALDH1A1MAPK1
SCHEMBL9078093 0.84 ALDH1A1 (0.40) SMN1; SMN2KDM4EALDH1A1MAPK1POLB
SCHEMBL3393857 0.80 KMT2A (0.48) AOC3KDM4EALDH1A1POLBOPRD1
SCHEMBL4592472 0.80 MEP1B (0.41) ALDH1A1MAPT
SCHEMBL8132921 0.79 MAPT (0.34) ALDH1A1MAPK1TSHRMAPTLMNA
SCHEMBL14165576 0.78 HDAC4 (0.42) AOC3SMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL6041838 0.77 ALDH1A1 (0.45) SMN1; SMN2KDM4EALDH1A1MAPK1POLB
SCHEMBL216572 0.77 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EALDH1A1MAPK1POLB
SCHEMBL1364220 0.77 MEN1 (0.41) SMN1; SMN2KDM4EALDH1A1MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103833531-B One prepares the method for 2,3,4,5-tetramethoxy toluene UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA (CN) 2015-11-18 CN claimed
CN-103833531-A Method for preparing 2, 3, 4, 5-tetramethoxytoluene USTC UNIV SCIENCE TECH CN 2014-06-04 CN claimed
CN-103833531-B One prepares the method for 2,3,4,5-tetramethoxy toluene UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA (CN) 2015-11-18 CN disclosed
CN-103833531-A Method for preparing 2, 3, 4, 5-tetramethoxytoluene USTC UNIV SCIENCE TECH CN 2014-06-04 CN disclosed