SCHEMBL8971030

SCHEMBL8971030

CC(C)(C)C1(c2ccccc2)OC1CO

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
PTGS2 P35354 1/20 0.33
MAPT P10636 2/20 0.31
HSP90AA1 P07900 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SLC6A2 P23975 1/20 0.31
POLB P06746 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
GAA P10253 2/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8971038 0.81 CYP3A4 (0.33) CYP3A4MAPK1
SCHEMBL13343386 0.72 CYP3A4 (0.40) CYP3A4MAPK1PTGS2MAPTHSP90AA1
SCHEMBL12319751 0.72 CYP3A4 (0.40) CYP3A4MAPK1PTGS2MAPTHSP90AA1
SCHEMBL4082290 0.72 CYP3A4 (0.40) CYP3A4MAPK1PTGS2MAPTHSP90AA1
SCHEMBL8505305 0.72 CYP3A4 (0.32) CYP3A4MAPK1POLBGPR55
SCHEMBL13258813 0.71 PTGS2 (0.38) CYP3A4MAPK1PTGS2MAPTHSP90AA1
SCHEMBL3720343 0.71 PTGS2 (0.38) CYP3A4MAPK1PTGS2MAPTHSP90AA1
SCHEMBL5666557 0.69 MAPT (0.40) CYP3A4MAPK1PTGS2MAPTHSP90AA1
SCHEMBL28414033 0.69 HCAR3 (0.37) CYP3A4MAPK1PTGS2MAPTHSP90AA1
SCHEMBL28117405 0.68 CYP3A4 (0.38) CYP3A4MAPK1PTGS2MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107298922-A Between layer composition and the device that is produced from it 施乐公司 2017-10-27 CN disclosed
EP-0311926-B1 Photopolymerisable composition MORTON INT INC (US) 1996-03-20 EP disclosed
EP-0311926-A2 Photopolymerisable composition MORTON INTERNATIONAL, INC. (US) 1989-04-19 EP disclosed