SCHEMBL9936079

SCHEMBL9936079

CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC(=O)C4CCC(C(=O)Nc5ccc(B6OC(C)(C)C(C)(C)O6)c(C)c5)CC4)cc3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.34
MAPK14 Q16539 3/20 0.34
DGAT1 O75907 4/20 0.34
MCHR1 Q99705 2/20 0.34
HIF1A Q16665 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CCR2 P41597 1/20 0.32
ABL1 P00519 2/20 0.32

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
SCHEMBL9936085 1.00 GBA1 (0.34) GBA1MAPK14DGAT1MCHR1HIF1A
SCHEMBL9936081 1.00 GBA1 (0.34) GBA1MAPK14DGAT1MCHR1HIF1A
SCHEMBL8771837 0.87 MAPK14 (0.41) GBA1MAPK14DGAT1MCHR1GAA
SCHEMBL1962592 0.85 GBA1 (0.34) GBA1MAPK14DGAT1MCHR1MAPT
SCHEMBL1962593 0.85 GBA1 (0.34) GBA1MAPK14DGAT1MCHR1MAPT
SCHEMBL1961233 0.84 ALDH1A1 (0.42) MAPK14DGAT1MAPT
SCHEMBL1961256 0.82 ALDH1A1 (0.42) MAPK14DGAT1MAPT
SCHEMBL1961254 0.82 ALDH1A1 (0.42) MAPK14DGAT1MAPT
SCHEMBL1962066 0.81 MAPT (0.44) MAPK14MAPTKMT2A
SCHEMBL1962070 0.81 MAPT (0.44) MAPK14MAPTKMT2A

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-3045971-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2016-07-20 EP disclosed
EP-2652553-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-04-06 EP disclosed
EP-2652553-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2013-10-23 EP disclosed
WO-2012082383-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 WO disclosed