SCHEMBL8848427

SCHEMBL8848427

O=C(c1ccc(F)c(Oc2ccccc2)c1)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.49
PARP10 Q53GL7 1/20 0.48
TTR P02766 2/20 0.47
MLYCD O95822 2/20 0.44
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LPAR1 Q92633 2/20 0.43
LPAR5 Q9H1C0 2/20 0.43
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL9539594 0.84 PARP10 (0.53) PARP10TTRLMNAL3MBTL1SMN1; SMN2
SCHEMBL979843 0.84 TTR (0.64) PARP10TTRLMNAL3MBTL1SMN1; SMN2
SCHEMBL10703394 0.83 PARP10 (0.51) PARP10TTRLMNAL3MBTL1SMN1; SMN2
SCHEMBL10487356 0.81 PARP10 (0.50) PARP10TTRLMNAL3MBTL1SMN1; SMN2
SCHEMBL28128705 0.81 PARP10 (0.67) PARP10TTRLMNAL3MBTL1SMN1; SMN2
SCHEMBL29174197 0.79 TTR (0.54) PARP10TTRLMNAL3MBTL1SMN1; SMN2
SCHEMBL7248002 0.79 CES1 (0.67) CES1PARP10MLYCDSMN1; SMN2
SCHEMBL11051862 0.78 PARP10 (0.47) PARP10TTRLMNAL3MBTL1SMN1; SMN2
SCHEMBL10799090 0.78 PARP10 (0.47) PARP10TTRLMNAL3MBTL1SMN1; SMN2
SCHEMBL8848201 0.78 AKR1C3 (0.66) CES1PARP10

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-0623103-B1 PROCESS FOR PRODUCING TRIFLUOROMETHYL KETONES HOECHST SCHERING AGREVO GMBH (DE) 1997-09-03 EP disclosed
US-5608062-A Process for preparing trifluoromethyl ketones HOECHST SCHERING AGREVO GMBH (DE) 1997-03-04 US disclosed
EP-0623103-A1 PROCESS FOR PRODUCING TRIFLUOROMETHYL KETONES. HOECHST SCHERING AGREVO GMBH (DE) 1994-11-09 EP disclosed
WO-1993014054-A1 PROCESS FOR PRODUCING TRIFLUOROMETHYL KETONES HOECHST SCHERING AGREVO GMBH (DE) 1993-07-22 WO disclosed
US-5223536-A Pyrethroid-like pesticides FMC CORPORATION (US) 1993-06-29 US disclosed
WO-1993001715-A1 1,4-DIARYL-1-CYCLOPROPYL-4-SUBSTITUTED BUTANES AS INSECTICIDES AND ACARICIDES FMC CORPORATION (US) 1993-02-04 WO disclosed