SCHEMBL9712052

SCHEMBL9712052

C=CCOCCOCCOc1ccc(CCl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.41
SLC5A2 P31639 1/20 0.41
APP P05067 6/20 0.39
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 2/20 0.37
USP2 O75604 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CASP1 P29466 1/20 0.37
KMT2A Q03164 1/20 0.37
SLCO1B3 Q9NPD5 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL9712151 1.00 SLC5A1 (0.41) SLC5A1SLC5A2APPALDH1A1MAPK1
SCHEMBL9711921 0.98 SLC5A1 (0.42) SLC5A1SLC5A2APPALDH1A1MAPK1
SCHEMBL9014872 0.83 SLC5A1 (0.43) SLC5A1SLC5A2APPALDH1A1MAPK1
SCHEMBL9014900 0.83 SLC5A1 (0.43) SLC5A1SLC5A2APPALDH1A1MAPK1
SCHEMBL1652185 0.82 CA12 (0.50) ALDH1A1MAPK1USP2SMN1; SMN2MEN1
SCHEMBL9014656 0.81 SLC5A1 (0.44) SLC5A1SLC5A2APPALDH1A1MAPK1
SCHEMBL14004238 0.80 RARB (0.41) SLC5A1SLC5A2ALDH1A1MAPK1SMN1; SMN2
SCHEMBL9705907 0.80 HRH3 (0.42)
SCHEMBL12926348 0.79 APP (0.53) APPALDH1A1LMNAL3MBTL1
SCHEMBL31316456 0.79 THRB (0.50) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091274-A Modified polysiloxanes NATIONAL SCIENCE COUNCIL (TW) 1992-02-25 US disclosed