SCHEMBL2401140

SCHEMBL2401140

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

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.40

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
SCHEMBL30476304 0.71 CYP2C19 (0.45) CYP2C19
SCHEMBL4287086 0.70 TSHR (0.32)
SCHEMBL8221292 0.70 CYP2C19 (0.46) CYP2C19
SCHEMBL3894338 0.68 CYP2C19 (0.45) CYP2C19
SCHEMBL26736522 0.66 CYP2C19 (0.39) CYP2C19
SCHEMBL13701366 0.66 ADRA1A (0.62) CYP2C19
SCHEMBL13701363 0.66 ALDH1A1 (0.46) CYP2C19
SCHEMBL11803904 0.63 CYP2C19 (0.43) CYP2C19
SCHEMBL17867236 0.62 CYP2C19 (0.35) CYP2C19
SCHEMBL8853308 0.61 FFAR1 (0.47) 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-20110236939-A1 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2011-09-29 US disclosed