SCHEMBL28360592

SCHEMBL28360592

CCCCCCCCNOCCOCCO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
THRB P10828 1/20 0.62
HTT P42858 1/20 0.62
MAPT P10636 1/20 0.62
TSHR P16473 3/20 0.52
EPHX2 P34913 1/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
USP2 O75604 1/20 0.43
CYP3A4 P08684 1/20 0.43
CASP1 P29466 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
EPHX1 P07099 2/20 0.40
HSD17B10 Q99714 1/20 0.38
NAAA Q02083 1/20 0.38
ACHE P22303 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
SCHEMBL28883820 1.00 MEN1 (0.62) MEN1KMT2ATHRBHTTMAPT
SCHEMBL28364210 1.00 MEN1 (0.62) MEN1KMT2ATHRBHTTMAPT
Water SCHEMBL28238061 0.98 MEN1 (0.60) MEN1KMT2ATHRBHTTMAPT
SCHEMBL3179591 0.92 TSHR (0.56) MEN1KMT2ATHRBHTTMAPT
SCHEMBL28473247 0.88 MEN1 (0.48) MEN1KMT2ATHRBHTTMAPT
SCHEMBL27758194 0.88 MEN1 (0.48) MEN1KMT2ATHRBHTTMAPT
SCHEMBL27677636 0.88 MEN1 (0.48) MEN1KMT2ATHRBHTTMAPT
SCHEMBL27371056 0.88 MEN1 (0.48) MEN1KMT2ATHRBHTTMAPT
SCHEMBL24375723 0.84 EPHX1 (0.41) MEN1KMT2ATHRBHTTMAPT
SCHEMBL5672142 0.82 EPHX1 (0.50) THRBTSHRALDH1A1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110846913-A Steel wire rope for hoisting polymer rope core 江苏赛福天钢索股份有限公司 2020-02-28 CN claimed
CN-106906027-B Self-repairing nano lubricating grease and preparation method thereof 同济大学 2020-08-14 CN disclosed
CN-110846913-A Steel wire rope for hoisting polymer rope core 江苏赛福天钢索股份有限公司 2020-02-28 CN disclosed