SCHEMBL16553649

SCHEMBL16553649

CCCOc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.70
KCNK9 Q9NPC2 3/20 0.70
F2R P25116 2/20 0.66
LMNA P02545 3/20 0.61
PTGS1 P23219 1/20 0.59
THRB P10828 1/20 0.55
RXFP1 Q9HBX9 3/20 0.55
NR1H4 Q96RI1 1/20 0.55
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 3/20 0.53
ALOX12 P18054 1/20 0.53
CCR6 P51684 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PTGES O14684 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL11212635 0.91 KCNK3 (0.80) KCNK3KCNK9F2RLMNAPTGS1
SCHEMBL11204897 0.84 NPC1 (0.70) KCNK3KCNK9F2RPTGS1RXFP1
Flutolanil SCHEMBL8362549 0.83 KCNK3 (0.65) KCNK3KCNK9F2RPTGS1RXFP1
Flutolanil SCHEMBL29451184 0.83 KCNK3 (0.65) KCNK3KCNK9F2RPTGS1RXFP1
Flutolanil SCHEMBL18555 0.83 KCNK3 (0.65) KCNK3KCNK9F2RPTGS1RXFP1
SCHEMBL11784409 0.83 LMNA (0.70) KCNK3KCNK9F2RLMNATHRB
SCHEMBL11588171 0.82 LMNA (0.65) KCNK3KCNK9LMNATHRBRXFP1
SCHEMBL11590267 0.82 ALDH1A1 (0.74) KCNK3KCNK9F2RLMNATHRB
SCHEMBL882775 0.80 F2R (1.00) KCNK3KCNK9F2RPTGS1RXFP1
SCHEMBL23367946 0.79 F2R (0.70) KCNK3KCNK9F2RPTGS1RXFP1

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
EP-3041913-A2 A NEW ANTIFUNGAL COMPOSITION FOR TREATMENT OF SOIL Ceradis B.V. (NL) 2016-07-13 EP disclosed
CN-105309424-A METHODS TO PRODUCE POLYMER NANOPARTICLES AND FORMULATIONS OF ACTIVE INGREDIENTS VIVE NANO INC 2016-02-10 CN disclosed
CN-102223790-B Method for producing polymer nanoparticles and preparation of active ingredients VIVE CROP PROTECTION INC. (CA) 2015-11-25 CN disclosed
WO-2015034359-A2 A NEW ANTIFUNGAL COMPOSITION FOR TREATMENT OF SOIL CERADIS B.V. (NL) 2015-03-12 WO disclosed
CN-103025829-A Methods to formulate neutral organic compounds with polymer nanoparticles VIVE NANO INC 2013-04-03 CN disclosed
CN-102223790-A Method for producing polymer nanoparticles and preparation of active ingredients VIVE NANO INC 2011-10-19 CN disclosed