SCHEMBL2000767

SCHEMBL2000767

CC(C)C(C)C(OCc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 7/20 0.63
SLC1A1 P43005 7/20 0.63
SLC1A3 P43003 6/20 0.63
MEN1 O00255 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
KMT2A Q03164 1/20 0.63
ALDH1A1 P00352 3/20 0.46
SLC15A1 P46059 1/20 0.43
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
CTSB P07858 1/20 0.41
PTGS2 P35354 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2004125 0.89 SLC1A2 (0.67) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL2004120 0.89 SLC1A2 (0.67) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL1953602 0.85 SLC1A3 (0.76) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL852209 0.85 SLC1A3 (0.76) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL418322 0.85 SLC1A3 (0.76) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL8840019 0.84 SLC1A2 (0.65) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
Water SCHEMBL30419716 0.83 SLC1A3 (0.73) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL2000459 0.81 SLC1A2 (0.61) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL28285770 0.81 SLC1A2 (0.65) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL7108671 0.80 SLC1A2 (0.59) SLC1A2SLC1A1SLC1A3MEN1CYP1A2

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-7960420-B2 Diazonamide analogs with improved solubility JOYANT PHARMACEUTICALS, INC (US) 2011-06-14 US disclosed