SCHEMBL8444552

SCHEMBL8444552

CCOc1ccc(C(=O)C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.59
NPC1 O15118 2/20 0.56
PLK1 P53350 1/20 0.56
MLYCD O95822 5/20 0.55
PLA2G4B P0C869 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NQO1 P15559 1/20 0.52
ALDH1A1 P00352 2/20 0.51
RAB9A P51151 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
RECQL P46063 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP1A1 P04798 1/20 0.51
CYP1B1 Q16678 1/20 0.51
MAOB P27338 1/20 0.51
PRSS1 P07477 1/20 0.50

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
Phenetole SCHEMBL27270527 0.88 CES1 (0.63) PARP10NPC1MLYCDKMT2ARAB9A
SCHEMBL15000339 0.86 TP53 (0.58) MLYCDPLA2G4BKMT2AALDH1A1HPGD
SCHEMBL9496189 0.86 PARP10 (0.56) PARP10NPC1PLK1PLA2G4BKMT2A
SCHEMBL25846701 0.84 MLYCD (0.57) MLYCDPLA2G4BMAOB
SCHEMBL13543186 0.83 PARP10 (0.61) PARP10NPC1PLK1PLA2G4BKMT2A
SCHEMBL6655754 0.82 MLYCD (0.49) MLYCDMAPTMAOB
SCHEMBL15000394 0.82 TP53 (0.67) MLYCDPLA2G4B
SCHEMBL7246449 0.82 TP53 (0.67) MLYCDPLA2G4B
SCHEMBL7247487 0.82 TP53 (0.67) MLYCDPLA2G4B
SCHEMBL17921591 0.81 PARP10 (0.59) PARP10NPC1PLK1PLA2G4BKMT2A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636120-B1 EPOXIDATION PROCESS OF CARBONYL COMPOUNDS USING SULPHONIUM OR SULPHOXONIUM YLIDES AND INTERMEDIATES ZENECA LTD (GB) 1999-09-08 EP disclosed
US-5750740-A Process for preparing epoxides from carbonyl compounds using sulphonium or sulphoxonium ylides and intermediates useful therein ZENECA LIMITED (GB) 1998-05-12 US disclosed
US-5637727-A Process for preparing epoxides from carbonyl compounds using sulphonium or sulphoxonium ylides and intermediates useful therein ZENECA LIMITED (GB) 1997-06-10 US disclosed
EP-0636120-A1 EPOXIDATION PROCESS OF CARBONYL COMPOUNDS USING SULPHONIUM OR SULPHOXONIUM YLIDES AND INTERMEDIATES ZENECA LIMITED (GB) 1995-02-01 EP disclosed
WO-1994008931-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF SUBSTITUTED 2-PHENYL-5-(3-PHENOXYPHENYL)-1,1,1-TRIFLUOROPENTANES SCHERING AKTIENGESELLSCHAFT (DE) 1994-04-28 WO disclosed
US-5225607-A Multistage etherification or dehydrohalogenation and reductive dechlorination IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US disclosed
EP-0545891-A2 Aldehyde compounds and derivatives thereof useful as intermediates in the preparation of insectical ether compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-09 EP disclosed
US-5196610-A INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-23 US disclosed
WO-1992014703-A1 EPOXIDATION PROCESS OF CARBONYL COMPOUNDS USING SULPHONIUM OR SULPHOXONIUM YLIDES AND INTERMEDIATES ZENECA LIMITED (GB) 1992-09-03 WO disclosed
EP-0276558-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-08 EP disclosed
US-4891450-A FLUORINE-CONTAINING ARYLALKENES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-02 US disclosed
US-4840971-A INSECTICIDES, MITICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-20 US disclosed
US-4791139-A Diphenyl ether derivatives and their use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-13 US disclosed
EP-0280383-A1 Process for intermediates for insecticidal compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-31 EP disclosed
EP-0276558-A2 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-03 EP disclosed
EP-0273549-A1 Insecticidal thioethers and derivatives thereof IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-07-06 EP disclosed
CN-87107798-A Insecticidal thioethers and derivative thereof 1988-05-11 CN disclosed
EP-0240978-A2 Ether compounds, process for their preparation, compositions containing the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-14 EP disclosed
EP-0240121-A2 Diphenyl ether derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-10-07 EP disclosed
EP-0211561-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-02-25 EP disclosed