SCHEMBL8848503

SCHEMBL8848503

OC(c1ccc(F)c(Oc2ccccc2)c1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.37
DUT P33316 1/20 0.36
SRD5A2 P31213 1/20 0.36
CETP P11597 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PARP10 Q53GL7 1/20 0.36
ACSS2 Q9NR19 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL23149872 0.86 L3MBTL1 (0.38) DUTSRD5A2LMNANPSR1L3MBTL1
SCHEMBL3711021 0.85 SRD5A2 (0.39) DUTSRD5A2LMNANPSR1L3MBTL1
SCHEMBL6128579 0.83 SRD5A2 (0.47) DUTSRD5A2LMNANPSR1L3MBTL1
SCHEMBL10549932 0.83 UGT2B7 (0.47) DUTSRD5A2LMNAL3MBTL1
SCHEMBL10469328 0.83 L3MBTL1 (0.39) DUTSRD5A2LMNANPSR1L3MBTL1
SCHEMBL9540375 0.83 UGT2B7 (0.47) DUTSRD5A2LMNAL3MBTL1
SCHEMBL10549937 0.83 UGT2B7 (0.47) DUTSRD5A2LMNAL3MBTL1
SCHEMBL10561616 0.80 LMNA (0.49) DUTLMNA
SCHEMBL11381836 0.80 SRD5A2 (0.50) NR1I2SRD5A2CETPPARP10
SCHEMBL3243488 0.79 TSHR (0.47) DUTSRD5A2LMNANPSR1L3MBTL1

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 8 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-4870218-A Trihalobenzene compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-09-26 US disclosed
US-4833163-A INSECTICIDES, NEMATOCIDES, MITICIDES ROUSSEL UCLAF (FR) 1989-05-23 US disclosed
US-4788349-A Halogenated diphenyl ether derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-11-29 US disclosed
EP-0252592-A1 Halogenated diphenyl ether derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-01-13 EP disclosed