SCHEMBL9560915

SCHEMBL9560915

OCc1ccc(F)c(Cc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.47
BCL2L1 Q07817 1/20 0.47
TSHR P16473 1/20 0.46
ALOX5 P09917 1/20 0.46
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 1/20 0.41
PTPN1 P18031 3/20 0.40
IDH1 O75874 2/20 0.40
HTR2A P28223 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN6 P29350 1/20 0.40
SLC5A2 P31639 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 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
SCHEMBL10453384 0.81 MEN1 (0.43) BCL2BCL2L1ALOX5MEN1CYP3A4
SCHEMBL10359608 0.81 TRPA1 (0.46) BCL2BCL2L1TSHRALOX5MEN1
SCHEMBL10454618 0.81 TP53 (0.46) BCL2BCL2L1ALOX5MEN1CYP3A4
SCHEMBL28182676 0.80 CYP4F2 (0.47) TSHRMEN1KMT2ACYP4F2CYP4A11
SCHEMBL11890536 0.79 ALOX15 (0.62) BCL2BCL2L1TSHRALOX5MEN1
SCHEMBL27691632 0.79 HTR2A (0.42) BCL2BCL2L1ALOX5MEN1CYP3A4
SCHEMBL16192444 0.79 BCL2 (0.47) BCL2BCL2L1ALOX5MEN1CYP3A4
SCHEMBL10454613 0.77 FFAR1 (0.41) BCL2BCL2L1ALOX5MEN1CYP3A4
SCHEMBL10547587 0.77 BCL2 (0.39) BCL2BCL2L1TSHRALOX5MEN1
SCHEMBL10642063 0.77 ALOX5 (0.42) BCL2BCL2L1ALOX5MEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0253536-A2 Fluorobenzyl esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-01-20 EP claimed
US-5225607-A Multistage etherification or dehydrohalogenation and reductive dechlorination IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US disclosed
US-5196610-A INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-23 US disclosed
CN-1019191-B INSECTICIDAL ETHERS ICI PLC (GB) 1992-11-25 CN disclosed
EP-0211561-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-11 EP disclosed
CN-1014061-B The preparation method of pyrimidine derivatives ICI PLC (GB) 1991-09-25 CN disclosed
EP-0227369-B1 INSECTICIDAL ALKENES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-04-18 EP disclosed
US-4904677-A Certain phenoxy- or benzyl substituted pyridylmethyloxy-alkenes having insecticidal properties IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-02-27 US disclosed
US-4902814-A CHEMICAL INTERMEDIATES FOR INSECTICIDES AND ACARICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-02-20 US disclosed
US-4812483-A PESTICIDES, MITICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-03-14 US disclosed
US-4762835-A INSECTICIDES, MITICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-09 US disclosed
CN-87105021-A FLUOROBENZYL ESTERS 1988-01-27 CN disclosed
EP-0253536-A2 Fluorobenzyl esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-01-20 EP disclosed
EP-0253536-A2 Fluorobenzyl esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-01-20 EP disclosed
CN-86108786-A INSECTICIDAL ALKENES 1987-07-22 CN disclosed
CN-86108825-A PYRIMIDINE DERIVATIVES 1987-07-22 CN disclosed
EP-0227415-A2 Pyrimidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-07-01 EP disclosed
EP-0227369-A1 Insecticidal alkenes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-07-01 EP disclosed
EP-0211561-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-02-25 EP disclosed
CN-86105891-A Desinsection ether 1987-02-25 CN disclosed