SCHEMBL7969326

SCHEMBL7969326

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 8/20 0.42
ALOX5 P09917 3/20 0.40
PTPN1 P18031 1/20 0.38
GSTO1 P78417 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PDE4A P27815 1/20 0.37
PDE3A Q14432 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL11601587 1.00 PSEN1 (0.42) PSEN1ALOX5PTPN1GSTO1MEN1
SCHEMBL11601582 1.00 PSEN1 (0.42) PSEN1ALOX5PTPN1GSTO1MEN1
SCHEMBL10752967 0.89 ALOX5 (0.46) PSEN1ALOX5PTPN1GSTO1MEN1
SCHEMBL10535178 0.89 PSEN1 (0.40) PSEN1ALOX5GSTO1MEN1KMT2A
SCHEMBL10756760 0.88 KCNA3 (0.35) PSEN1ALOX5PTPN1PPARG
SCHEMBL29670864 0.85 PSEN1 (0.44) PSEN1ALOX5PTPN1GSTO1MEN1
SCHEMBL7839568 0.85 PSEN1 (0.42) PSEN1ALOX5PTPN1GSTO1MEN1
SCHEMBL11440558 0.85 PSEN1 (0.44) PSEN1ALOX5PTPN1GSTO1MEN1
SCHEMBL7843126 0.85 PSEN1 (0.44) PSEN1ALOX5PTPN1GSTO1MEN1
SCHEMBL11440561 0.85 PSEN1 (0.44) PSEN1ALOX5PTPN1GSTO1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200990-B1 4-PHENYLPIPERIDIN-1-YLETHANOL DERIVATIVES; VISION DEFECTS, BRAIN AND SPINAL CORD INJURIES ALCON LABORATORIES, INC. 2001-03-13 US 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
US-4694090-A Chroman compounds useful as analgerics and antioxidants KURARAY CO., LTD. (JP) 1987-09-15 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
EP-0183869-A1 Chroman compounds and their use KURARAY CO., LTD. (JP) 1986-06-11 EP disclosed
US-4110346-A Tetramethyl chromanyl pentane derivatives HOFFMANN-LA ROCHE INC. (US) 1978-08-29 US disclosed
US-4088662-A Optically active amides and process for producing the same HOFFMANN-LA ROCHE INC. (US) 1978-05-09 US disclosed
US-4088662-A Optically active amides and process for producing the same HOFFMANN-LA ROCHE INC. (US) 1978-05-09 US disclosed
US-4086249-A Tetramethyl chromanyl pentane amide HOFFMANN-LA ROCHE INC. (US) 1978-04-25 US disclosed
US-4076739-A Synthesis of vitamin E HOFFMANN-LA ROCHE INC. (US) 1978-02-28 US disclosed
US-4076739-A Synthesis of vitamin E HOFFMANN-LA ROCHE INC. (US) 1978-02-28 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-4016178-A Synthesis of vitamin E HOFFMANN-LA ROCHE INC. (US) 1977-04-05 US disclosed
US-4016178-A Synthesis of vitamin E HOFFMANN-LA ROCHE INC. (US) 1977-04-05 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