SCHEMBL29101112

SCHEMBL29101112

C1CCCC(CCCCOCCCCC2CCCCCCC2)CCC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.56
CYP1A2 P05177 1/20 0.54
EPHX1 P07099 1/20 0.52
NAAA Q02083 6/20 0.41
ASAH1 Q13510 1/20 0.41
SPHK2 Q9NRA0 4/20 0.40
SPHK1 Q9NYA1 4/20 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
SCHEMBL14740174 1.00 SIGMAR1 (0.56) SIGMAR1CYP1A2EPHX1NAAAASAH1
SCHEMBL14740413 0.97 SIGMAR1 (0.52) SIGMAR1CYP1A2EPHX1NAAAASAH1
SCHEMBL29101110 0.92 CYP1A2 (0.56) SIGMAR1CYP1A2EPHX1NAAA
SCHEMBL9267046 0.92 CYP1A2 (0.56) SIGMAR1CYP1A2EPHX1NAAA
SCHEMBL14739553 0.89 CYP1A2 (0.52) SIGMAR1CYP1A2EPHX1NAAA
SCHEMBL10648552 0.87 CYP1A2 (0.59) SIGMAR1CYP1A2EPHX1NAAASPHK2
SCHEMBL5215905 0.86 CYP1A2 (0.58) SIGMAR1CYP1A2EPHX1NAAA
SCHEMBL6610934 0.86 SIGMAR1 (0.48) SIGMAR1CYP1A2EPHX1NAAAASAH1
SCHEMBL11258635 0.86 SIGMAR1 (0.48) SIGMAR1CYP1A2EPHX1NAAAASAH1
SCHEMBL11653901 0.86 SIGMAR1 (0.70) SIGMAR1CYP1A2EPHX1

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-117013085-A Weak solvation electrolyte and lithium-sulfur battery and lithium ion battery containing same 中国科学院苏州纳米技术与纳米仿生研究所 2023-11-07 CN disclosed