SCHEMBL7999828

SCHEMBL7999828

Cc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(O)O2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.46
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
PTPN1 P18031 1/20 0.36
HPD P32754 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL8308667 0.87 PSEN1 (0.45) PSEN1MAPTTDP1MAPK1L3MBTL1
SCHEMBL7843126 0.85 PSEN1 (0.44) PSEN1MAPTTDP1PTPN1MEN1
SCHEMBL11440561 0.85 PSEN1 (0.44) PSEN1MAPTTDP1PTPN1MEN1
SCHEMBL29670864 0.85 PSEN1 (0.44) PSEN1MAPTTDP1PTPN1MEN1
SCHEMBL11440558 0.85 PSEN1 (0.44) PSEN1MAPTTDP1PTPN1MEN1
SCHEMBL10535389 0.85 PSEN1 (0.43) PSEN1MAPTTDP1MAPK1L3MBTL1
SCHEMBL20503424 0.85 PSEN1 (0.43) PSEN1MAPTTDP1MAPK1L3MBTL1
SCHEMBL8308662 0.85 PSEN1 (0.43) PSEN1MAPTTDP1MAPK1L3MBTL1
SCHEMBL6597291 0.84 PSEN1 (0.65) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL4592776 0.84 PSEN1 (0.65) PSEN1PTGS1PTGS2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000010994-A1 PROCESS FOR THE PREPARATION OF 2-(ARYLOXYMETHYL)-2,5,7,8-TETRAMETHYLCHROMAN-6-OLS SANKYO COMPANY, LIMITED (JP) 2000-03-02 WO disclosed
US-5110955-A Chiral rhodium or palladium-diphosphine catalyst HOFFMANN-LA ROCHE INC. (US) 1992-05-05 US disclosed
EP-0392389-A2 Process for the preparation of vinyl compounds F. HOFFMANN-LA ROCHE AG (CH) 1990-10-17 EP disclosed
US-4824971-A 2-allylchromans HOFFMAN-LA ROCHE INC. (US) 1989-04-25 US disclosed
EP-0235510-B1 3,4-DIHYDRO-2,5,7,8-TETRAMETHYL-2H-1-BENZOPYRAN DERIVATIVES AND PROCESSES FOR THEIR PREPARATION F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1989-03-08 EP disclosed
US-4806661-A Chromanemelonate esters HOFFMANN-LA ROCHE INC. (US) 1989-02-21 US disclosed
US-4752646-A 2-halochromans HOFFMANN-LA ROCHE INC. (US) 1988-06-21 US disclosed
EP-0235510-A2 3,4-Dihydro-2,5,7,8-tetramethyl-2H-1-benzopyran derivatives and processes for their preparation F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-09-09 EP disclosed
US-4598160-A Intermediate phenolic compounds for the catalytic synthesis of chromans HOFFMANN-LA ROCHE INC. (US) 1986-07-01 US disclosed
US-4026907-A INTERMEDIATES FOR ALPHA-TOCOPHEROL HOFFMANN-LA ROCHE INC. (US) 1977-05-31 US disclosed
US-4018799-A INTERMEDIATES FOR TOCOPHEROL HOFFMANN-LA ROCHE INC. (US) 1977-04-19 US disclosed
US-4003919-A INTERMEDIATES FOR ALPHA-TOCOPHEROL HOFFMANN-LA ROCHE INC. (US) 1977-01-18 US disclosed
US-3947473-A (6-HYDROXY-CHROMAN-2-YL) CARBOXYLIC ACID DERIVATIVES HOFFMAN-LA ROCHE INC. (US) 1976-03-30 US disclosed