SCHEMBL4932041

SCHEMBL4932041

Fc1ccc[c]c1Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.37
FAAH O00519 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PARP10 Q53GL7 2/20 0.35
NR1H2 P55055 1/20 0.34
BAX Q07812 1/20 0.34
MAOA P21397 1/20 0.34
SLC6A4 P31645 3/20 0.34
HTR1A P08908 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 2/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.33
PLA2G2A P14555 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL4718417 0.83 HTT (0.33) HPGDNPC1
SCHEMBL11141243 0.80 LTA4H (0.42) LTA4HTSHRPARP10NR1H2BAX
SCHEMBL3952656 0.80 PARP10 (0.42) L3MBTL1FAAHTDP1PARP10SLC6A4
SCHEMBL8129943 0.79 LMNA (0.47) LTA4HTDP1HPGDNPC1LMNA
SCHEMBL983525 0.78 TSHR (0.44) LTA4HTSHRL3MBTL1NR1H2BAX
SCHEMBL1929863 0.76 LTA4H (0.42) LTA4HTSHRPARP10NR1H2BAX
SCHEMBL7803639 0.76 LTA4H (0.43) LTA4HTSHRL3MBTL1TDP1PARP10
SCHEMBL6036733 0.76 LTA4H (0.42) LTA4HTSHRPARP10NR1H2BAX
SCHEMBL422932 0.76 MAOA (0.43) LTA4HTSHRPARP10NR1H2BAX
SCHEMBL11140990 0.76 LTA4H (0.42) LTA4HTSHRPARP10NR1H2BAX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37087-E1 1-(4-ETHOXYPHENYL)-4-(4-FLUORO-3-PHENOXYPHENYL)-1 -TRIFLUOROMETHYLBUTANE OR 1-(4-ETHOXY-3-FLUOROPHENYL)-4-(3-PHENOXYPHENYL)-1-TRIFLUOROMETHYLBUTANE, FOR EXAMPLE; COMBATS INSECTS AND MITES SCHERING AKTIENGESELLSCHAFT (DE) 2001-03-06 US claimed
CN-1059669-C Aryloxycycloalkenyl and aryloxyiminocycloalkenylhydroxyureas PFIZER (US) 2000-12-20 CN claimed
EP-0790981-B1 ARYLOXYCYCLOALKENYL AND ARYLOXYIMINOCYCLOALKENYLHYDROXYUREAS AS 5-LIPOXYGENASE INHIBITORS PFIZER (US) 1999-09-08 EP claimed
US-5798383-A Aryloxycycloalkenyl and aryloxyiminocycloalkenylhydroxyureas PFIZER INC. (US) 1998-08-25 US claimed
EP-0790981-A1 ARYLOXYCYCLOALKENYL AND ARYLOXYIMINOCYCLOALKENYLHYDROXYUREAS AS 5-LIPOXYGENASE INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1997-08-27 EP claimed
CN-1131148-A Aryloxycycloalkenyl and aryloxyiminocycloalkenylhydroxyureas PFIZER (US) 1996-09-18 CN claimed
WO-1996015106-A1 ARYLOXYCYCLOALKENYL AND ARYLOXYIMINOCYCLOALKENYLHYDROXYUREAS AS 5-LIPOXYGENASE INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1996-05-23 WO claimed
US-5196610-A INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-23 US claimed
EP-0233834-B1 INSECTICIDAL TRIFLUORMETHYL ALKANE DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1992-04-22 EP claimed
US-4791123-A MITICIDES SCHERING AKT. (DE) 1988-12-13 US claimed
US-4743622-A FLUORO COMPOUNDS SCHERING AKTIENGESELLSCHAFT (DE) 1988-05-10 US claimed
EP-0233834-A1 Insecticidal trifluormethyl alkane derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1987-08-26 EP claimed
US-4678811-A INSECTICIDES, MITICIDES SCHERING AKTIENGESELLSCHAFT (DE) 1987-07-07 US claimed
EP-0191723-A1 Aromatic alkane derivatives, pesticides containing these compounds and processes for their production SCHERING AKTIENGESELLSCHAFT (DE) 1986-08-20 EP claimed
EP-0179018-A1 Substituted benzyl ethers, pesticides containing these compounds and processes for their production SCHERING AKTIENGESELLSCHAFT (DE) 1986-04-23 EP claimed
EP-0136451-A2 Arylmethyl-ether derivatives, pesticides containing these compounds and process for their preparation SCHERING AKTIENGESELLSCHAFT (DE) 1985-04-10 EP claimed
EP-3236752-A2 NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES Bayer CropScience Aktiengesellschaft (DE) 2017-11-01 EP disclosed
WO-2016102435-A2 NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-30 WO disclosed
US-4414210-A 2-Hydroxyarylethyltriazole fungicides ROHM AND HAAS COMPANY (US) 1983-11-08 US disclosed
US-4413003-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1983-11-01 US disclosed