SCHEMBL27889155

SCHEMBL27889155

CCOCC[N+]1(CCOC)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 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
SCHEMBL27889159 0.98 KDM4E (0.48) KDM4EALDH1A1
SCHEMBL4902958 0.91 ALDH1A1 (0.36) KDM4EALDH1A1
SCHEMBL4899678 0.89 KDM4E (0.35) KDM4EALDH1A1
SCHEMBL4902574 0.87 KDM4E (0.56) KDM4E
SCHEMBL3307763 0.85 ALDH1A1 (0.32) ALDH1A1
SCHEMBL4901669 0.84 KDM4E (0.60) KDM4E
SCHEMBL3305475 0.83 NPC1 (0.33) KDM4EALDH1A1
SCHEMBL898004 0.83 KDM4E (0.48) KDM4E
SCHEMBL3306540 0.83 CHRM2 (0.38) KDM4EALDH1A1
SCHEMBL4904900 0.82 ALDH1A1 (0.39) ALDH1A1

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-102694205-A Electrolyte solvent and electrolyte solution for lithium oxysalt anode active substance, and lithium ion secondary cell SHOEI CHEMICAL IND CO 2012-09-26 CN disclosed