SCHEMBL8318283

SCHEMBL8318283

CCC(N)C(=O)OC(C)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.45
AOC3 Q16853 2/20 0.43
TPH1 P17752 2/20 0.43
MMP9 P14780 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP3A4 P08684 1/20 0.41
KCNH2 Q12809 1/20 0.41
GLA P06280 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40

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
SCHEMBL2740652 0.86 UGT2B7 (0.47) UGT2B7AOC3MMP9AKR1C3AKR1C2
SCHEMBL28493116 0.82 HCAR2 (0.49) CYP2D6MEN1CYP1A2KMT2AADRA2A
SCHEMBL13704249 0.82 GLA (0.44) UGT2B7AOC3MMP9AKR1C3AKR1C2
SCHEMBL13704255 0.82 GLA (0.44) UGT2B7AOC3MMP9AKR1C3AKR1C2
SCHEMBL2740645 0.82 GLA (0.44) UGT2B7AOC3MMP9AKR1C3AKR1C2
SCHEMBL20168275 0.80 UGT2B7 (0.50) UGT2B7AOC3MMP9AKR1C3AKR1C2
SCHEMBL2611790 0.80 UGT2B7 (0.50) UGT2B7AOC3MMP9AKR1C3AKR1C2
SCHEMBL6270220 0.79 UGT2B7 (0.53) UGT2B7AOC3MMP9SLC6A2SLC6A4
SCHEMBL13704265 0.78 UGT2B7 (0.43) UGT2B7AOC3MMP9AKR1C3AKR1C2
SCHEMBL10120468 0.77 UGT2B7 (0.55) UGT2B7AOC3MMP9AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629626-B1 Cyclopropyl-substituted spiro-photochromic compounds TOKUYAMA CORP (JP) 1999-10-27 EP disclosed
US-5708063-A REVERSABLE COLOR COMPOUNDS TOKUYAMA CORPORATION (JP) 1998-01-13 US disclosed
EP-0629626-A2 Cyclopropyl-substituted spiro-photochromic compounds TOKUYAMA CORPORATION (JP) 1994-12-21 EP disclosed
EP-0316179-B1 Photochromic compounds TOKUYAMA SODA KK (JP) 1994-01-19 EP disclosed
US-4960678-A FULGIDES, FULGIMIDES AND HIGH MOLECULAR POLYMER; LENSES TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1990-10-02 US disclosed
EP-0316179-A2 Photochromic compounds TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1989-05-17 EP disclosed