SCHEMBL28060797

SCHEMBL28060797

C=CC(N)CCCC(C=C)(C=C)C=C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
BLM P54132 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 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
SCHEMBL27041556 0.73
SCHEMBL466702 0.73
SCHEMBL6576182 0.73
SCHEMBL20763596 0.73 SLC6A2 (0.43) MEN1KMT2ASLC6A2SLC6A4BLM
Hydrochloric Acid SCHEMBL25347977 0.71
SCHEMBL4424346 0.71
SCHEMBL1535983 0.71
SCHEMBL7796157 0.71
SCHEMBL14977874 0.71 LMNA (0.42) MEN1KMT2ASLC6A2SLC6A4BLM
SCHEMBL1503403 0.70

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-112939292-B Method for treating industrial wastewater 淄博正河净水剂有限公司 2022-08-16 CN claimed
CN-112939170-B Industrial wastewater flocculant and preparation method thereof 淄博正河净水剂有限公司 2022-06-10 CN claimed
CN-112939168-B Coagulant for printing and dyeing wastewater and preparation method thereof 淄博正河净水剂有限公司 2022-10-04 CN disclosed
CN-112939274-B Treatment method of printing and dyeing wastewater 淄博正河净水剂有限公司 2022-08-26 CN disclosed
CN-112939292-B Method for treating industrial wastewater 淄博正河净水剂有限公司 2022-08-16 CN disclosed
CN-112939170-B Industrial wastewater flocculant and preparation method thereof 淄博正河净水剂有限公司 2022-06-10 CN disclosed
CN-112939170-B Industrial wastewater flocculant and preparation method thereof 淄博正河净水剂有限公司 2022-06-10 CN disclosed
CN-105439216-A Printing and dyeing wastewater treatment agent and preparation method thereof JIANGSU GAIYA ENV ENG CO LTD 2016-03-30 CN disclosed