SCHEMBL17812574

SCHEMBL17812574

CC(C)(C)OC1CCCCC1(C(=O)O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.33

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
SCHEMBL8904468 0.77 PPM1D (0.36) CYP2C19
SCHEMBL2992933 0.70 CYP2C19 (0.33) CYP2C19
SCHEMBL4206000 0.70 BTK (0.31) CYP2C19
SCHEMBL2561559 0.70 BTK (0.31) CYP2C19
SCHEMBL12987233 0.70 BTK (0.31) CYP2C19
SCHEMBL1109617 0.70 CYP2C19 (0.33) CYP2C19
SCHEMBL2557566 0.70 BTK (0.31) CYP2C19
SCHEMBL4197528 0.70 BTK (0.31) CYP2C19
SCHEMBL1063404 0.69 CYP2C19 (0.40) CYP2C19
SCHEMBL28495844 0.67 GAA (0.31) CYP2C19

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-9365715-B2 Thermoplastic elastomer composition and method for the production thereof STYROLUTION EUROPE GMBH (DE) 2016-06-14 US disclosed