SCHEMBL7204575

SCHEMBL7204575

CCCCOC(=O)C1(C(=O)OCCCC)CC2C=CC1C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.37
CYP2D6 P10635 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ATM Q13315 1/20 0.35
TSHR P16473 4/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EPHX2 P34913 5/20 0.34
ESR1 P03372 5/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NR1H2 P55055 1/20 0.33
RNASEL Q05823 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
PDE4D Q08499 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32

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
SCHEMBL7211020 0.91 CYP2D6 (0.39) CYP2C19CYP2D6ALDH1A1ATML3MBTL1
SCHEMBL9880121 0.86 CYP2D6 (0.32) CYP2C19CYP2D6
SCHEMBL7211051 0.84 CYP2C19 (0.41) CYP2C19CYP2D6TSHRLMNACYP1A2
SCHEMBL200578 0.84 CYP2C19 (0.36) CYP2C19CYP2D6ALDH1A1ATMTSHR
SCHEMBL32689139 0.80 EPHX2 (0.38) CYP2C19CYP2D6ALDH1A1TSHREPHX2
SCHEMBL5837477 0.80 CYP2D6 (0.33) CYP2C19CYP2D6ALDH1A1ATMTSHR
SCHEMBL11703272 0.79 CYP2D6 (0.37) CYP2C19CYP2D6LMNAMAPK1KDM4E
SCHEMBL11703278 0.79 CYP2D6 (0.37) CYP2C19CYP2D6LMNAMAPK1KDM4E
SCHEMBL5836998 0.78 EPHX2 (0.34) CYP2C19CYP2D6ALDH1A1TSHRL3MBTL1
SCHEMBL3388689 0.76 NPC1 (0.37) CYP2C19CYP2D6ALDH1A1ATMTSHR

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-1307493-A2 POLYMERIC COMPOSITIONS FOR FORMING OPTICAL WAVEGUIDES; OPTICAL WAVEGUIDES FORMED THEREFROM; AND METHODS FOR MAKING SAME Goodrich Corporation (US) 2003-05-07 EP disclosed
WO-2002010231-A2 POLYMERIC COMPOSITIONS FOR FORMING OPTICAL WAVEGUIDES; OPTICAL WAVEGUIDES FORMED THEREFROM; AND METHODS FOR MAKING SAME GOODRICH CORPORATION (US) 2002-02-07 WO disclosed