SCHEMBL5708134

SCHEMBL5708134

CC(COC(=O)C(=O)OCC(C)C1CCCC(C)(C)C1)C1CCCC(C)(C)C1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.30
IDO1 P14902 1/20 0.30
TDO2 P48775 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
SCHEMBL5708140 0.93 RAB9A (0.31)
SCHEMBL5708004 0.91 NR1H4 (0.30) NR1H4IDO1TDO2
SCHEMBL5708012 0.89 CYP1A2 (0.31) NR1H4
SCHEMBL5708022 0.88 NR1H4 (0.31) NR1H4
SCHEMBL5708030 0.85 EP300 (0.34) NR1H4
SCHEMBL5708028 0.84 LMNA (0.32) NR1H4
SCHEMBL5708044 0.82 NR1H4 (0.35) NR1H4
SCHEMBL4661822 0.82 IDO1 (0.30) IDO1TDO2
SCHEMBL22578929 0.79 MME (0.32)
SCHEMBL22578891 0.79 NAAA (0.30)

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
EP-1398366-B1 Fruity musk compositions INT FLAVORS & FRAGRANCES INC (US) 2006-11-22 EP disclosed