SCHEMBL7064352

SCHEMBL7064352

c1ccc2c(c1)CCCCCCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
ITGB2 P05107 1/20 0.48
ICAM1 P05362 1/20 0.48
ITGAL P20701 1/20 0.48
LMNA P02545 2/20 0.43
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
OXTR P30559 1/20 0.41
CTNNB1 P35222 3/20 0.41
WNT3A P56704 3/20 0.41
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
BRD4 O60885 1/20 0.38
CYP2A6 P11509 1/20 0.38
ABCG2 Q9UNQ0 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
SCHEMBL7066039 1.00 TSHR (0.50) TSHRITGB2ICAM1ITGALLMNA
SCHEMBL27493 0.98 TSHR (0.52) TSHRITGB2ICAM1ITGALLMNA
SCHEMBL16340888 0.98 TSHR (0.52) TSHRITGB2ICAM1ITGALLMNA
SCHEMBL8447 0.91 ITGB2 (0.52) TSHRITGB2ICAM1ITGALLMNA
Fluoride SCHEMBL28202465 0.91 ITGB2 (0.52) TSHRITGB2ICAM1ITGALLMNA
SCHEMBL28007596 0.91 ITGB2 (0.52) TSHRITGB2ICAM1ITGALLMNA
SCHEMBL5313090 0.91 ITGB2 (0.52) TSHRITGB2ICAM1ITGALLMNA
SCHEMBL29356442 0.91 ITGB2 (0.52) TSHRITGB2ICAM1ITGALLMNA
Ammonia Solution, Strong SCHEMBL2078097 0.89 ITGB2 (0.50) TSHRITGB2ICAM1ITGALLMNA
Bromide SCHEMBL11373619 0.89 ITGB2 (0.50) TSHRITGB2ICAM1ITGALLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901787-B1 Stabilized pharmaceutical composition TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
EP-0952826-B1 IDEBENONE CONTAINING COMBINATION AGENT FOR TREATING ALZHEIMER'S DISEASE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-11-14 EP disclosed
US-6187340-B1 TABLETS WITH COATINGS THAT PROTECT FROM LIGHT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-02-13 US disclosed
EP-0952826-A1 IDEBENONE CONTAINING COMBINATION AGENT FOR TREATING ALZHEIMER'S DISEASE Takeda Chemical Industries, Ltd. (JP) 1999-11-03 EP disclosed
US-5962535-A SYNERGISTIC MIXTURE OF IDEBENONE AND ACETYLCHOLINESTERASE INHIBITOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
EP-0901787-A1 Stabilized pharmaceutical composition Takeda Chemical Industries, Ltd. (JP) 1999-03-17 EP disclosed
WO-1998031356-A1 IDEBENONE CONTAINING COMBINATION AGENT FOR TREATING ALZHEIMER'S DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-07-23 WO disclosed
EP-0487071-B1 Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-07-05 EP disclosed
US-5273974-A Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-28 US disclosed
EP-0487071-A1 Condensed heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-05-27 EP disclosed