SCHEMBL5708012

SCHEMBL5708012

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

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
IDH1 O75874 3/20 0.31
NR1H4 Q96RI1 1/20 0.30
RAB9A P51151 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
SCHEMBL5708134 0.89 NR1H4 (0.30) NR1H4
SCHEMBL5708004 0.89 NR1H4 (0.30) NR1H4
SCHEMBL5708140 0.88 RAB9A (0.31) RAB9A
SCHEMBL5708022 0.87 NR1H4 (0.31) NR1H4
SCHEMBL5708028 0.86 LMNA (0.32) CYP1A2IDH1NR1H4
SCHEMBL5708073 0.85 EP300 (0.33) NR1H4
SCHEMBL5708065 0.83 CDC25A (0.34) NR1H4
SCHEMBL4661822 0.80 IDO1 (0.30)
SCHEMBL21963879 0.80 CYP1A2 (0.40) CYP1A2IDH1
SCHEMBL22592987 0.79 IDH1 (0.32) IDH1

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