SCHEMBL21907862

SCHEMBL21907862

CC(C)(C)CC(C)(C)C(=O)CN

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 1/20 0.32
SLC6A9 P48067 1/20 0.32
OR51E2 Q9H255 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL25910307 0.78 KDM4E (0.32) KDM4E
SCHEMBL269347 0.76 TDP1 (0.33)
SCHEMBL10892961 0.74 TSHR (0.32)
SCHEMBL6896428 0.72 LMNA (0.35) OR51E2KDM4E
SCHEMBL9577860 0.72 LDHA (0.38) KDM4E
SCHEMBL27591286 0.72 KDM4E (0.34) GLRA1SLC6A9OR51E2KDM4E
SCHEMBL451714 0.71
Hydrochloric Acid SCHEMBL782363 0.69
SCHEMBL673097 0.69 GAA (0.35)
SCHEMBL9642490 0.69

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-20200087570-A1 SURFACTANT COMPOSITION AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI RESEARCH INSTITUTE OF PETROCHEMICAL TECHNOLOGY, SINOPEC (CN) 2020-03-19 US disclosed