SCHEMBL6358992

SCHEMBL6358992

[c]1nc2c(C3CCCCC3)c(C3CCCCC3)ccc2s1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CEL P19835 1/20 0.31
KMO O15229 1/20 0.30
CYP11B2 P19099 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
SCHEMBL6083736 0.83 CYP11B2 (0.34) CELKMOCYP11B2
SCHEMBL28286521 0.71 LMNA (0.41)
SCHEMBL29372285 0.68 TXN (0.33)
SCHEMBL21072843 0.68 NPC1 (0.33)
SCHEMBL239469 0.67 ABCB1 (0.43) CELKMOCYP11B2
SCHEMBL8823216 0.66 CA2 (0.41)
SCHEMBL27528566 0.66 TDO2 (0.31)
SCHEMBL31510136 0.66 CA2 (0.41)
SCHEMBL28105541 0.66 SLC18A3 (0.53) KMOCYP11B2
SCHEMBL14353365 0.66 ABCB1 (0.42) CELKMOCYP11B2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1564244-A2 Energy conversion composition Shishiai-Kabushikigaisha (JP) 2005-08-17 EP disclosed
EP-0897675-A1 ENERGY CONVERSION COMPOSITION Shishiai-Kabushikigaisha (JP) 1999-02-24 EP disclosed