SCHEMBL6468627

SCHEMBL6468627

C=Cc1ccccc1OC(F)CCC

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
HPGD P15428 3/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 3/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.31
AOC3 Q16853 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PTGES2 Q9H7Z7 1/20 0.30
NFE2L2 Q16236 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
SCHEMBL6279906 0.81 MCHR1 (0.35) HPGDLMNAALDH1A1MEN1CYP3A4
SCHEMBL8522042 0.79 ALDH1A1 (0.34) MAPTLMNAALDH1A1MEN1CYP3A4
SCHEMBL15173559 0.79 PTGDR2 (0.35) MAPTHPGDLMNAKDM4EMEN1
SCHEMBL15678969 0.77 POLB (0.45) MAPTHPGDLMNASMN1; SMN2HTT
SCHEMBL6287591 0.76 MCHR1 (0.37) HTTKDM4EALDH1A1MEN1CYP3A4
SCHEMBL5968371 0.75 THRB (0.39) MAPTLMNAKDM4EALDH1A1MEN1
SCHEMBL27528404 0.75 MCHR1 (0.42) HPGDLMNASMN1; SMN2HTTALDH1A1
SCHEMBL4543863 0.74 ALDH1A1 (0.33) HPGDLMNASMN1; SMN2HTTALDH1A1
SCHEMBL7541880 0.74 SIGMAR1 (0.33) HTTKDM4EALDH1A1MEN1CYP3A4
SCHEMBL1395548 0.73 LMNA (0.37) MAPTHPGDLMNASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2812369-A1 PREPARATION, PURIFICATION AND USE OF HIGH-X DIBLOCK COPOLYMERS E. I. Du Pont de Nemours and Company (US) 2014-12-17 EP disclosed
EP-2812368-A1 PREPARATION, PURIFICATION AND USE OF HIGH-X DIBLOCK COPOLYMERS E. I. Du Pont de Nemours and Company (US) 2014-12-17 EP disclosed
EP-2812383-A1 PREPARATION, PURIFICATION AND USE OF HIGH-X DIBLOCK COPOLYMERS E. I. Du Pont de Nemours and Company (US) 2014-12-17 EP disclosed
WO-2013120052-A1 PREPARATION, PURIFICATION AND USE OF HIGH-X DIBLOCK COPOLYMERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-08-15 WO disclosed
WO-2013120055-A1 PREPARATION, PURIFICATION AND USE OF HIGH-X DIBLOCK COPOLYMERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-08-15 WO disclosed
WO-2013120051-A1 PREPARATION, PURIFICATION AND USE OF HIGH-X DIBLOCK COPOLYMERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-08-15 WO disclosed
EP-1590382-A1 IMPROVED TERMINATION AND REDUCED GEL IN HIGH CIS POLYBUTADIENE Firestone Polymers, LLC (US) 2005-11-02 EP disclosed
WO-2004072132-A1 IMPROVED TERMINATION AND REDUCED GEL IN HIGH CIS POLYBUTADIENE FIRESTONE POLYMERS, LLC (US) 2004-08-26 WO disclosed