SCHEMBL3873475

SCHEMBL3873475

O=C(Cl)C(F)(F)Oc1ccc(F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
SCN8A Q9UQD0 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
HCRTR1 O43613 4/20 0.35
HCRTR2 O43614 4/20 0.35
EPHX2 P34913 6/20 0.35
NOTUM Q6P988 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL5169953 0.85 NOTUM (0.46) CES2CES1SCN8ASCN10AHCRTR1
SCHEMBL7313573 0.85 CES2 (0.41) CES2CES1SCN8ASCN10AHCRTR1
SCHEMBL24252041 0.72 HTR2C (0.34) CES2CES1HCRTR1HCRTR2ALDH1A1
SCHEMBL17186806 0.71 PPARA (0.47) CES2CES1ALDH1A1
SCHEMBL15737124 0.70 CES2 (0.32) CES2CES1EPHX2
SCHEMBL10180776 0.70 CES2 (0.41) CES2CES1SCN8ASCN10AEPHX2
SCHEMBL12636041 0.69 CES2 (0.39) CES2CES1EPHX2ALDH1A1
SCHEMBL4423620 0.69 CES2 (0.42) CES2CES1NOTUMMRGPRX4
SCHEMBL15734025 0.69 CES2 (0.33) CES2CES1SCN8ASCN10AHCRTR1
SCHEMBL6525908 0.68 CES2 (0.42) CES2CES1EPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553911-B2 Coated polydivinylbenzene beads JORDI FLP (US) 2009-06-30 US claimed
US-20080255269-A1 Polystyrene divinylbenzene copolymer having a fluorinated, amidated surface; high performance liquid chromatography tationary phase JORDI HOWARD C 2008-10-16 US claimed
US-7553911-B2 Coated polydivinylbenzene beads JORDI FLP (US) 2009-06-30 US disclosed
US-20080255269-A1 Polystyrene divinylbenzene copolymer having a fluorinated, amidated surface; high performance liquid chromatography tationary phase JORDI HOWARD C 2008-10-16 US disclosed
US-7396883-B1 Coated polydivinylbenzene beads JORDI FLP (US) 2008-07-08 US disclosed
WO-1988006732-A1 TAGGED BINDING REAGENTS AND METHODS FOR DETECTING TARGET ANALYTES ALLIED CORPORATION (US) 1988-09-07 WO disclosed