SCHEMBL28023233

SCHEMBL28023233

CC(C)(C)C(=O)OC1(CCCO)CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32

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
SCHEMBL27840061 0.85
SCHEMBL27857663 0.85
SCHEMBL27857668 0.85
SCHEMBL27830203 0.83 KDM4E (0.32)
SCHEMBL28023227 0.79
SCHEMBL28106912 0.79 KDM4E (0.33)
SCHEMBL28290792 0.78 CYP2D6 (0.31)
SCHEMBL28023823 0.75 KDM4E (0.31)
SCHEMBL28023211 0.75 OPRM1 (0.33)
SCHEMBL27830224 0.75 OPRM1 (0.30)

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-105121425-A Therapeutic compounds and compositions AGIOS PHARMACEUTICALS INC 2015-12-02 CN disclosed