SCHEMBL3792283

SCHEMBL3792283

CC(C)CN(CC(C)C)S([NH])(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.37
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RORC P51449 2/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MMP3 P08254 2/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30
MMP14 P50281 1/20 0.30
ADAM17 P78536 1/20 0.30
PER2 O15055 1/20 0.30
CRY1 Q16526 1/20 0.30
CRY2 Q49AN0 1/20 0.30

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
SCHEMBL10312295 0.74 PER2 (0.45) TAS2R14LMNAALDH1A1NPSR1RORC
SCHEMBL1038818 0.72 TAS2R14 (0.41) TAS2R14LMNAALDH1A1NPSR1RORC
SCHEMBL3792285 0.72 CA2 (0.46) TAS2R14LMNAALDH1A1NPSR1RORC
SCHEMBL6865202 0.69 TAS2R14 (0.35) TAS2R14LMNAALDH1A1NPSR1RORC
SCHEMBL29345748 0.69 TAS2R14 (0.35) TAS2R14LMNAALDH1A1NPSR1RORC
SCHEMBL11448473 0.67 ALDH1A1 (0.35) TAS2R14LMNAALDH1A1NPSR1RORC
SCHEMBL11580208 0.67 TAS2R14 (0.38) TAS2R14LMNAALDH1A1NPSR1CA12
SCHEMBL19413218 0.65 TAS2R14 (0.31) TAS2R14LMNACA12CA1CA2
SCHEMBL19413362 0.65 TAS2R14 (0.31) TAS2R14LMNACA12CA1CA2
Hydrochloric Acid SCHEMBL11448476 0.64 TAS2R14 (0.36) TAS2R14LMNAALDH1A1NPSR1RORC

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
EP-2168181-B1 MIXTURES FOR PRODUCING PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTODETECTORS HELIATEK GMBH (DE) 2021-05-12 EP disclosed
US-20100140559-A1 MIXTURES FOR PRODUCING PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTODETECTORS BASF SE (DE) 2010-06-10 US disclosed
EP-2168181-A1 MIXTURES FOR PRODUCING PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTODETECTORS BASF SE (DE) 2010-03-31 EP disclosed
WO-2009007340-A1 MIXTURES FOR PRODUCING PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTODETECTORS BASF SE (DE) 2009-01-15 WO disclosed