SCHEMBL8047110

SCHEMBL8047110

O=C(O)c1ccc(C(F)(F)F)c(C(F)(F)F)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
DAO P14920 1/20 0.40
ASPH Q12797 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
CES2 O00748 2/20 0.39
CYP1A2 P05177 1/20 0.38
CLCN2 P51788 1/20 0.37
TAS2R14 Q9NYV8 2/20 0.36
NOTUM Q6P988 1/20 0.36
GRIK1 P39086 1/20 0.36
USP2 O75604 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FABP4 P15090 1/20 0.36
LDHA P00338 1/20 0.35

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
SCHEMBL4849605 0.86 DAO (0.44) ALDH1A1HPGDDAOASPHRXRA
SCHEMBL7565055 0.85 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EHSD17B10DAO
SCHEMBL4647359 0.84 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EHSD17B10DAO
SCHEMBL1099462 0.82 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EHSD17B10DAO
SCHEMBL22075506 0.81 SELL (0.45) ALDH1A1HPGDKDM4EHSD17B10DAO
SCHEMBL19585173 0.81 DAO (0.44) ALDH1A1HPGDKDM4EHSD17B10DAO
SCHEMBL10628408 0.81 KDM4E (0.33) ALDH1A1HPGDKDM4EHSD17B10DAO
SCHEMBL23908710 0.79 ALDH1A1 (0.47) ALDH1A1HPGDTAS2R14GRIK1MEN1
SCHEMBL27990317 0.77 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EHSD17B10DAO
SCHEMBL1100670 0.76 ASPH (0.42) ALDH1A1HPGDKDM4EHSD17B10ASPH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6060615-A Positively-chargeable charge control agent and toner for developing electrostatic images ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-09 US disclosed
US-5981130-A Positively-chargeable charge control agent and toner for developing electrostatic images ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-09 US disclosed
EP-0881545-A1 Positively-chargeable charge control agent and toner for developing electrostatic images ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-02 EP disclosed
US-4218464-A 4- and 5-Substituted 2,3-dihydro-1H-isoindoles, pharmaceutical compositions and method of inhibiting phenylethanolamine N-methyltransferase SMITHKLINE CORPORATION (US) 1980-08-19 US disclosed