SCHEMBL16865183

SCHEMBL16865183

CC1CC1(C#N)C(=O)OCCCCCCOC(=O)C1(C#N)CC1C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.32
TSHR P16473 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
EPHX1 P07099 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
SCHEMBL16865199 0.95 NPSR1 (0.30)
SCHEMBL16865154 0.91 ALDH1A1 (0.32) ALDH1A1
SCHEMBL14435631 0.82 ALDH1A1 (0.36) TSHRALDH1A1LMNA
SCHEMBL5435193 0.82 ALDH1A1 (0.36) TSHRALDH1A1LMNA
SCHEMBL16865163 0.76 POLB (0.34)
SCHEMBL16865165 0.76 JAK2 (0.31)
SCHEMBL16865175 0.74 PRKCA (0.31)
SCHEMBL16865147 0.74 NAAA (0.35) NAAATSHRALDH1A1EPHX1
SCHEMBL10073885 0.71 CTSK (0.33) ALDH1A1
SCHEMBL16865203 0.71 ALDH1A1 (0.33) NAAATSHRALDH1A1EPHX1

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-20150188193-A1 NON-AQUEOUS LIQUID ELECTROLYTE FOR SECONDARY BATTERY AND SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2015-07-02 US disclosed