SCHEMBL6575616

SCHEMBL6575616

Cc1cccc(C)c1C=CCOCC=Cc1c(C)cccc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 1/20 0.35
RAF1 P04049 2/20 0.34
IDO1 P14902 4/20 0.33
TSHR P16473 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ACHE P22303 1/20 0.33
ALOX5 P09917 1/20 0.32
SCN4A P35499 3/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31
KCNK3 O14649 1/20 0.31
CACNA1F O60840 1/20 0.31

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
SCHEMBL2095234 0.83 RAF1 (0.33) CYP1A2CYP2A6RAF1IDO1TSHR
SCHEMBL8845067 0.79 CYP2A6 (0.36) CYP1A2CYP2A6RAF1TSHRCA1
SCHEMBL23183088 0.79 CYP2A6 (0.36) CYP1A2CYP2A6RAF1TSHRCA1
SCHEMBL8845065 0.79 CYP2A6 (0.36) CYP1A2CYP2A6RAF1TSHRCA1
SCHEMBL5536662 0.78 RAF1 (0.33) RAF1CXCR5
SCHEMBL5536658 0.78 RAF1 (0.33) RAF1CXCR5
SCHEMBL2091272 0.77 CYP1A2 (0.35) CYP1A2CYP2A6RAF1TSHRCA1
SCHEMBL294610 0.77 CYP2A6 (0.35) CYP1A2CYP2A6RAF1TSHRCA1
SCHEMBL2091271 0.77 CYP1A2 (0.35) CYP1A2CYP2A6RAF1TSHRCA1
SCHEMBL294609 0.77 CYP2A6 (0.35) CYP1A2CYP2A6RAF1TSHRCA1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080084-B1 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS DOW GLOBAL TECHNOLOGIES INC (US) 2004-05-06 EP claimed
CN-1303382-A Epoxidation process for aryl allyl ethers DOW CHEMICAL CO (US) 2001-07-11 CN claimed
EP-0252284-A1 2,6-Dimethyl-para-benzoquinone tetraalkyl ketals BASF Aktiengesellschaft (DE) 1988-01-13 EP claimed
CN-110494485-B Polyethylene blend compositions 陶氏环球技术有限责任公司 2023-03-10 CN disclosed
EP-0430055-A1 2-tert.-butyl-p-benzoquinone-tetraalkyl-ketals and their preparation BASF Aktiengesellschaft (DE) 1991-06-05 EP disclosed
EP-0252284-B1 2,6-DIMETHYL-PARA-BENZOQUINONE TETRAALKYL KETALS BASF Aktiengesellschaft (DE) 1989-12-06 EP disclosed
EP-0252284-A1 2,6-Dimethyl-para-benzoquinone tetraalkyl ketals BASF Aktiengesellschaft (DE) 1988-01-13 EP disclosed