SCHEMBL28828916

SCHEMBL28828916

C/C=C/C(=O)OC1C[C@H]2CC[C@@]1(C)C2(C)C

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.64
ELANE P08246 2/20 0.62
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.56
XBP1 P17861 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
CYP19A1 P11511 2/20 0.48

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
SCHEMBL1338729 1.00 CYP2C19 (0.64) CYP2C19ELANEMAPTKDM4EGAA
SCHEMBL15355416 0.92 CYP2C19 (0.69) CYP2C19ELANEMAPTKDM4EGAA
SCHEMBL4162354 0.87 CYP2C19 (0.67) CYP2C19ELANEMAPTKDM4EGAA
SCHEMBL1617700 0.87 CYP2C19 (0.67) CYP2C19ELANEMAPTKDM4EGAA
SCHEMBL8106018 0.87 CYP2C19 (0.67) CYP2C19ELANEMAPTKDM4EGAA
SCHEMBL11295554 0.84 CYP2C19 (0.60) CYP2C19ELANEMAPTKDM4EGAA
SCHEMBL8391110 0.84 CYP2C19 (0.60) CYP2C19ELANEMAPTKDM4EGAA
SCHEMBL8391112 0.84 CYP2C19 (0.60) CYP2C19ELANEMAPTKDM4EGAA
SCHEMBL27832130 0.84 ALDH1A1 (0.67) CYP2C19ELANEMAPTKDM4EGAA
Propene SCHEMBL28271907 0.84 CYP2C19 (0.56) CYP2C19ELANEMAPTKDM4EGAA

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
CN-105911816-A Curable composition comprising quantum dot color, filter manufactured using thereof and image display device having the same 东友精细化工有限公司 2016-08-31 CN disclosed