SCHEMBL28430632

SCHEMBL28430632

CC1(C)CC=C(C2COCCN2)C(=O)C1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.30
PRKACA P17612 1/20 0.30
PRKACG P22612 1/20 0.30
PRKACB P22694 1/20 0.30

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
SCHEMBL4271532 0.71 PRKACA (0.33) PRKACAPRKACGPRKACB
SCHEMBL4265456 0.69 PRKACA (0.32) PRKACAPRKACGPRKACB
SCHEMBL16572379 0.59 HSD11B1 (0.38)
SCHEMBL29022339 0.59 NOTUM (0.33)
SCHEMBL29022336 0.59 NOTUM (0.33)
SCHEMBL27758952 0.59 PRKACA (0.41) PRKACAPRKACGPRKACB
SCHEMBL5545595 0.59 MAPT (0.44) PRKACAPRKACGPRKACB
Hydrochloric Acid SCHEMBL29962930 0.58 NOTUM (0.33)
SCHEMBL11618552 0.58 ALDH1A1 (0.36) CYP11B2
SCHEMBL11616927 0.58 ALDH1A1 (0.42)

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-111433963-A Electrolyte for lithium secondary battery and lithium secondary battery comprising the same 株式会社LG化学 2020-07-17 CN disclosed