SCHEMBL8710360

SCHEMBL8710360

CCCCCCCCCCC=C(c1ccccc1)c1ccccc1.[NaH].[NaH]

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 10/20 0.53
SIGMAR1 Q99720 3/20 0.50
ESR1 P03372 7/20 0.49
ESR2 Q92731 7/20 0.49

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
SCHEMBL2460287 1.00 TBXAS1 (0.53) TBXAS1SIGMAR1ESR1ESR2
SCHEMBL29251467 1.00 TBXAS1 (0.53) TBXAS1SIGMAR1ESR1ESR2
SCHEMBL3803676 1.00 TBXAS1 (0.53) TBXAS1SIGMAR1ESR1ESR2
SCHEMBL8647922 1.00 TBXAS1 (0.53) TBXAS1SIGMAR1ESR1ESR2
SCHEMBL726651 1.00 TBXAS1 (0.53) TBXAS1SIGMAR1ESR1ESR2
SCHEMBL29190098 1.00 TBXAS1 (0.53) TBXAS1SIGMAR1ESR1ESR2
SCHEMBL11229130 0.98 TBXAS1 (0.54) TBXAS1SIGMAR1ESR1ESR2
SCHEMBL8418666 0.98 TBXAS1 (0.54) TBXAS1SIGMAR1ESR1ESR2
SCHEMBL7861116 0.98 TBXAS1 (0.54) TBXAS1SIGMAR1ESR1ESR2
SCHEMBL11792681 0.98 TBXAS1 (0.54) TBXAS1SIGMAR1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0630182-B1 A DISINFECTING COMPOSITION WHITELEY REGINALD KEITH (AU) 1998-10-07 EP disclosed
EP-0630182-A4 A DISINFECTING COMPOSITION. WHITELEY REGINALD KEITH (AU) 1995-02-15 EP disclosed
EP-0630182-A1 A DISINFECTING COMPOSITION Whiteley, Reginald Keith (AU) 1994-12-28 EP disclosed
WO-1993017558-A1 A DISINFECTING COMPOSITION WHITELEY REGINALD KEITH (AU) 1993-09-16 WO disclosed