SCHEMBL8439499

SCHEMBL8439499

CCC(=O)CC(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ CTNNB1 P35222 9/20 0.51
▸ WNT3A P56704 9/20 0.51
▸ F2R P25116 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KCNK3 O14649 1/20 0.44
▸ KCNK9 Q9NPC2 1/20 0.44
▸ TAS2R14 Q9NYV8 1/20 0.42
▸ PTGES O14684 1/20 0.41

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
SCHEMBL29410857 0.86 CTNNB1 (0.57) LMNAGAACTNNB1WNT3AF2R
SCHEMBL1950901 0.86 CTNNB1 (0.57) LMNAGAACTNNB1WNT3AF2R
SCHEMBL6603074 0.86 CTSS (0.53) LMNAGAACTNNB1WNT3AF2R
Hydrochloric Acid SCHEMBL5819908 0.84 CTNNB1 (0.55) LMNAGAACTNNB1WNT3AF2R
SCHEMBL8489375 0.83 LMNA (0.56) LMNAGAACTNNB1WNT3AF2R
SCHEMBL3549199 0.80 LMNA (0.53) LMNAGAACTNNB1WNT3AF2R
SCHEMBL401715 0.80 LMNA (0.49) LMNAGAACTNNB1WNT3AF2R
SCHEMBL31475594 0.79 LMNA (0.56) LMNAGAACTNNB1WNT3AKCNK3
SCHEMBL18662346 0.79 CTNNB1 (0.62) LMNAGAACTNNB1WNT3AF2R
SCHEMBL3474396 0.79 LMNA (0.56) LMNAGAACTNNB1WNT3AKCNK3

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-0929510-A2 PROCESSES FOR THE PREPARATION OF ARYL-$g(b)-DIKETONES, ARYL-PYRIMIDINE KETONES AND CROP PROTECTION INTERMEDIATES ZENECA LIMITED (GB) 1999-07-21 — — EP disclosed
US-5925795-A Processes for the preparation of aryl-β-diketones, arylpyrimidine ketones and crop protection intermediates ZENECA LIMITED (GB) 1999-07-20 — — US disclosed
WO-1998011046-A2 PROCESSES FOR THE PREPARATION OF ARYL-β-DIKETONES, ARYL-PYRIMIDINE KETONES AND CROP PROTECTION INTERMEDIATES ZENECA LIMITED (GB) 1998-03-19 — — WO disclosed
US-5672567-A PRE- AND POST-EMERGENCE ZENECA LIMITED (GB) 1997-09-30 — — US disclosed
US-5670453-A PYRAZINEARYL COMPOUND ZENECA LIMITED (GB) 1997-09-23 — — US disclosed
WO-1995029898-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1995-11-09 — — WO disclosed
Send feedback